Lehrstuhl für Thermodynamik (LTD)

Vorträge und Poster

2023

D. Alt, S. Schmitt, H. Hasse, S. Stephan: Molecular Dynamics Simulations of Contact Process for Elucidating Dissipation Effects (Poster), Thermodynamik-Kolloquium, Hannover, 25.-27.09.2023.

J. Arweiler, N. Hayer, T. Specht, H. Hasse, F. Jirasek: Diffusion Coefficients in Mixtures of OME and Alkanes by NMR Spectroscopy, Verfahrenstechnisches Doktorandenseminar der RPTU Kaiserslautern, Annweiler am Trifels, 21.-22.08.2023.

J. Arweiler, N. Hayer, T. Specht, H. Hasse, F. Jirasek: Similarity-based Prediction of Activity Coefficients, 22nd European Conference on Thermophysical Properties (ECTP), Venice, Italy, 10.-13.09.2023.

J. Arweiler, N. Hayer, T. Specht, H. Hasse, F. Jirasek: Prediction of Activity Coefficients with Similarity-based Imputation using Quantum-chemical Descriptors and Machine Learning, 14th Europen Congress of Chemical Engineering and 7th European Congress of Applied Biotechnology (ECCE&ECAB), Berlin, 17.-21.09.2023.

J. Arweiler, T. Specht, K. Münnemann, H. Hasse, F. Jirasek: SMART NMR Fingerprinting of Mixtures using Benchtop Spectrometers (Poster), NMRPM Symposium, Kaiserslautern, 24.-26.05.2023.

J. Arweiler, T. Specht, K. Münnemann, H. Hasse, F. Jirasek: Automated NMR Fingerprinting and Thermodynamic Modeling of Poorly Specified Mixtures (Poster), Thermodynamik-Kolloquium, Hannover, 25.-27.09.2023.

M. Bortz, J. Burger, S. Fellenz, H. Hasse, F. Jirasek, M. Kloft, H. Leitte, S. Mandt, D. Neider: Chemical Process Data for Research, NFDI4Ing Conference, Web-Conference, 27.-28.09.2023.

F. Fleckenstein, S. Schmitt, D. Fertig, D. Schaefer, J. Lenhard, S. Stephan, H. Hasse: Reproducibility of Molecular Simulation Data for Transport Properties of Fluids (Poster), International Workshop on Molecular Modeling and Simulation, Frankfurt a. M., 02.-03.03.2023.

F. Fleckenstein, S. Stephan: Properties of Vapor-liquid-liquid Interfaces: Predictions by Molecular Simulation and Density Gradient Theory (Poster), International Workshop on Molecular Modeling and Simulation, Frankfurt a. M., 02.-03.02.2023.

F. Fleckenstein, S. Stephan: Properties of Vapor-liquid-liquid Interfaces: Predictions by Molecular Simulation and Density Gradient Theory (Poster), Thermodynamik-Kolloquium, Hannover, 25.-27.09.2023.

F. Fleckenstein, S. Stephan, H. Hasse: Molecular Simulation of Spike Proteins of the SARS-CoV-2 Virus at Vapor-liquid Interfaces, International Workshop on Molecular Modeling and Simulation, Frankfurt a. M., 02.-03.03.2023.

D. Gond, J.-T. Sohns, J. Zenn, R. Bamler, H. Leitte, H. Hasse, F. Jirasek: Interpreting Graph Neural Networks for Predicting Activity Coefficients, 14th Europen Congress of Chemical Engineering and 7th European Congress of Applied Biotechnology (ECCE&ECAB), Berlin, 17.-21.09.2023.

D. Gond, J.-T. Sohns, J. Zenn, R. Bamler, H. Leitte, H. Hasse, F. Jirasek: Interpreting Graph Neural Networks for Predicting Activity Coefficients (Poster), Thermodynamik-Kolloquium, Hannover, 25.-27.09.2023.

H. Hasse: Digitale Transformation der Ingenieurwissenschaften (Invited Lecture), Akademie der Wissenschaften und Literatur, Mainz, 01.07.2023.

H. Hasse: Digital Transformation of Chemical Engineering Science (Invited Lecture), Netherlands Process Technology Symposium, Enschede, Netherlands, 06.07.2023.

H. Hasse, R. Müller: Multiscale Modeling of Wetting of Component Surfaces (Invited Lecture), International Conference on Microscale Morphology of Component Surfaces (MICOS), Bad Dürkheim, 06.-08.03.2023.

N. Hayer, H. Hasse, F. Jirasek: Extending the Scope of Thermodynamic Group-Contribution Methods by Machine Learning, Thermodynamik-Kolloquium, Hannover, 25.-27.09.2023.

N. Hayer, H. Hasse, F. Jirasek: Active Learning for the Prediction of Second Virial Coefficients in Mixtures (Poster), Thermodynamik-Kolloquium, Hannover, 25.-27.09.2023.

N. Hayer, F. Jirasek, H. Hasse: Combining Machine Learning with Thermodynamic Group-Contribution Methods, 22nd European Conference on Thermophysical Properties (ECTP), Venice, Italy, 10.-13.09.2023.

N. Hayer, F. Jirasek, H. Hasse: Hybrid Group-Contribution Methods for Predicting Thermodynamic Properties of Mixtures, 14th European Congress of Chemical Engineering and 7th European Congress of Applied Biotechnology (ECCE&ECAB), Berlin, 17.-21.09.2023.

J. Heiß, M. Kohns: Experimental Investigation of the Thermodynamic Behavior of All-Vanadium Redox Flow Batteries (Poster), Verfahrenstechnisches Doktorandenseminar der RPTU Kaiserslautern, Annweiler am Trifels, 21.-22.08.2023.

J. Heiß, M. Kohns: Experimental Investigation of the Thermodynamic Behavior of All-Vanadium Redox Flow Batteries (Poster), Thermodynamik-Kolloquium, Hannover, 25.-27.09.2023.

J. Heiß, M. Kohns: All-Vanadium Redox Flow Batteries: UV-Vis Spectroscopy and Open Circuit Voltage Measurements (Poster), 2nd International Conference on Energy, Environment & Digital Transition (E2DT), Palermo, Italy, 22.-25.10.2023.

F. Jirasek: Hybrid Thermodynamic Modeling of Mixtures (Invited Lecture), Thermodynamik-Kolloquium, Hannover, 25.-27.09.2023.

F. Jirasek: Modeling Unknown Mixtures (Invited Lecture), Mathematical Methods in Process Engineering (MMiPE), Kaiserslautern, 05.-06.10.2023.

F. Jirasek, M. Bortz, H. Hasse: Hybridization Strategies for Machine Learning and Physical Modeling of Mixtures (Invited Lecture), Sitzung der Dechema-Fachgruppe "Modellgestützte Prozessentwicklung und -optimierung", Frankfurt am Main, 12.05.2023.

F. Jirasek, S. Fellenz, R. Bamler, M. Bortz, M. Kloft, S. Mandt, H. Hasse: Making Thermodynamic Models Predictive by Machine Learning: Matrix Completion of Pair Interactions Workshop on Neuro-Explicit AI and Expert-informed Machine Learning for Engineering and Physical Sciences, European Conference on Machine Learning and Principles and Practice of Knowledge Discovery, Turin, Italy, 22.09.2023.

F. Jirasek, S. Fellenz, R. Bamler, M. Bortz, M. Kloft, S. Mandt, H. Hasse: Making Thermodynamic Models Predictive by Machine Learning: Matrix Completion of Pair Interactions (Poster), Workshop on Neuro-Explicit AI and Expert-informed Machine Learning for Engineering and Physical Sciences, European Conference on Machine Learning and Principles and Practice of Knowledge Discovery, Turin, Italy, 2023.

F. Jirasek, N. Hayer, J. Arweiler, D. Gond, T. Specht, H. Hasse: Hybridizing Machine Learning and Physical Modeling for Predicting Thermodynamic Properties of Mixtures, International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD), Tarragona, Spain, 21.-25.05.2023.

F. Jirasek, T. Specht, K. Münnemann, H. Hasse: Thermodynamic Modeling of Unknown Mixtures with NMR Spectroscopy and Machine Learning (Invited Lecture), NMRPM Symposium, Kaiserslautern, 24.-26.05.2023.

K. Koehler, S. Stephan: 3D Printing of Thermophysical Property Data for Thermodynamics Teaching (Poster), Thermodynamik-Kolloquium, Hannover, 25.-27.09.2023.

M. Kohns: Electrolyte Thermodynamics for Analysis and Optimization of Energy Storage Systems and Sustainable Processes (Intived Lecture), 2nd International Conference on Energy, Environment & Digital Transition (E2DT), Palermo, Italy, 22.-25.10.2023.

M. Kohns, A. Kulkarni, M. Bortz, K. H. Küfer, H. Hasse: Hierarchical Multi-criteria Optimisation of Molecular Models of Water Using Five Objectives, International Workshop on Molecular Modeling and Simulation, Frankfurt a. M., 02.-03.03.2023.

M. Kohns, J. Marx, K. Langenbach: On the Dielectric Behavior of Dipolar Model Fluids, International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD), Tarragona, Spain, 21.-25.05.2023.

M. Kohns, J. Marx, K. Langenbach: On the Dielectric Behavior of Dipolar Model Fluids (Poster), International Workshop on Molecular Modeling and Simulation, Frankfurt a. M., 02.-03.03.2023.

B. Kunstmann, H. Hasse, M. Kohns: Simulation Study of Superheating in Evaporating Droplets in Spray Flame Synthesis of Battery Materials, 2nd International Conference on Energy, Environment & Digital Transition (E2DT), Palermo, Italy, 22.-25.10.2023.

B. Kunstmann, D. Schaefer, S. Schmitt, M. Kohns, H. Hasse: Superheating and Explosions of Droplets in Spray Flame Synthesis: Fluid Properties, Phenomenological Modeling, and MD Simulation, Thermodynamik-Kolloquium, Hannover, 25.-27.09.2023.

J. Marx, M. Kohns, K. Langenbach: Prediction of Molecular Orientations and Phase Equilibria of Mixtures with the Co-Oriented Fluid Functional Equation for Electrostatic Interactions (COFFEE) (Poster), International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD), Tarragona, Spain, 21.-25.05.2023.

J. Marx, M. Kohns, K. Langenbach: Phasengleichgewichte und Permittivität in Mischungen unterschiedlich polarer Fluide mit COFFEE, Thermodynamik-Kolloquium, Hannover, 25.-27.09.2023.

S. Mross, D. Bellaire, K. Münnemann, H. Hasse: Mutual Diffusion Coefficients by NMR spectroscopy (Poster), 19th European Magnetic Resonance Congress (EUROMAR), Glasgow, Scotland, UK, 09.-13.07.2023.

S. Mross, R. Kircher, H. Hasse, K. Münnemann: Quantitative Analysis in Continuous Flow Benchtop 1H NMR by Paramagnetic Relaxation Enhancement (Poster), NMRPM Symposium, Kaiserslautern, 24.-26.05.2023.

S. Mross, Z. Romero, K. Münnemann, F. Jirasek, H. Hasse: Measurement and Prediction of Self-diffusion Coefficients with NMR Spectroscopy and Active Learning Strategies, Thermodynamik-Kolloquium, Hannover, 25.-27.09.2023.

S. Mross, S. Schmitt, B. Kunstmann, D. Bellaire, K. Münnemann, H. Hasse: Diffusion Coefficients in Mixtures of OME and Alkanes by NMR Spectroscopy, 14th Europen Congress of Chemical Engineering and 7th European Congress of Applied Biotechnology (ECCE&ECAB), Berlin, 17.-21.09.2023.

J. Phuong, H. Hasse, K. Münnemann: Overhauser DNP and Polarization Transfer Methods Enable Continuous Flow 13C Benchtop NMR Spectroscopy (Poster), NMRPM Symposium, Kaiserslautern, 24.-26.05.2023.

J. Phuong, S. Mross, H. Hasse, K. Münnemann: A New Method to Determine Self-Diffusion Coefficients in Complex MIxtures with Benchtop 13C NMR Spectroscopy (Poster), Small Molecule NMR Conference (SMASH), Baveno, Italy, 17.-20.09.2023.

J. Phuong, Z. Romero, H. Hasse, K. Münnemann: Polarization Transfer Methods for Benchtop 13C NMR Spectroscopy under Continuous Flow (Poster), 19th European Magnetic Resonance Congress (EUROMAR), Glasgow, Scotland, UK, 09.-13.07.2023.

J. Phuong, Z. Romero, H. Hasse, K. Münnemann: Polarization Transfer Methods for Quantitative Benchtop 13C NMR Spectroscopy in Process Monitoring (Poster), Small Molecule NMR Conference (SMASH), Baveno, Italy, 17.-20.09.2023.

Z. Romero, K. Münnemann, F. Jirasek, H. Hasse: Measurement and Prediction of Self-Diffusion Coefficients Based on NMR and Active Learning Strategies (Poster), NMRPM Symposium, Kaiserslautern, 24.-26.05.2023.

S. Schmitt, S. Stephan, H. Hasse: Force Fields for the Prediction of Transport Properties of Lubricants at Extreme Conditions, International Workshop on Molecular Modeling and Simulation, Frankfurt a. M., 02.-03.03.2023.

S. Schmitt, S. Stephan, H. Hasse: A Molecular Dynamics Simulation Study of the Kapitza Heat Transfer Resistance (Poster), International Workshop on Molecular Modeling and Simulation, Frankfurt a. M., 02.-03.02.2023.

S. Schmitt, S. Stephan, H. Hasse: Prediction of Transport Properties of Lubricants at Extreme Conditions by Molecular Simulation and Entropy Scaling, Joint European Thermodynamics Conference (JETC), Salerno, Italy, 12.-17.06.2023.

M. Sekulla, L. Bernadini, M. Kohns, M. Richter: Molekulardynamik trifft Gravimetrie: Fortschritte in der genauen Taudichtemessung, Thermodynamik-Kolloquium, Hannover, 25.-27.09.2023.

J. Staubach, H. Hasse, S. Stephan: Modelling of Dipolar Contributions to the Helmholtz Energy, International Workshop on Molecular Modelling and Simulation, Frankfurt a. M., 02.-03.03.2023.

J. Staubach, S. Stephan: The Relation of Fluid Interfacial Properties and the Phase Diagram (Poster), International Workshop on Molecular Modelling and Simulation, Frankfurt a. M., 02.-03.03.2023.

P. Wingertzahn, S. Schmitt, S. Thielen, M. Oehler, O. Koch, H. Hasse: Measurement and Modelling of Lubricant Properties at Extremely High Pressure, nextlub - 1st International Conference on Tribology and Sutainable Lubrication, Düsseldorf, 18.04.-19.04.2023.

2022

M. Dyga, S. Schmitt, S. Mross, A. Keller, S. Maurer, S. Stephan, H. Hasse: Unexpected Liquid-liquid Equilibrium Behavior of Mixtures of Water and Isoprenol, Thermodynamik-Kolloquium, Chemnitz, 26.-28.09.2022.

D. Fertig, S. Stephan, H. Hasse: Transport Properties of Binary Mixtures of Simple Fluids: Interpretation by Conformal Solution Theory and Quantification by Entropy Scaling, Thermodynamik-Kolloquium, Chemnitz, 26.-28.09.2022.

D. Fertig, S. Stephan, H. Hasse: Transport Properties of Binary Mixtures of Simple Fluids: Interpretation by Conformal Solution Theory and Quantification by Entropy Scaling, The 27th Thermodynamics Conference, Bath, UK, 07.-09.09.2022.

F. Fleckenstein, S. Schmitt, D. Schaefer, D. Fertig, S. Stephan, H. Hasse: A Comparison of Molecular Simulation Sampling Methods for the Prediction of Transport Properties (Poster), Thermodynamik-Kolloquium, Chemnitz, 26.09.-28.09.2022.

F. Fleckenstein, S. Stephan, H. Hasse: Molecular Dynamics Simulation of Spike Proteins of the SARS-CoV-2 Virus (Poster), The 27th Thermodynamics Conference, Bath, UK, 07.-09.09.2022.

F. Fleckenstein, S. Stephan, H. Hasse: Molecular Simulation of Spike Proteins of the SARS-CoV-2 Virus (Poster), Thermodynamik-Kolloquium, Chemnitz, 26.09.-28.09.2022.

F. Fleckenstein, S. Stephan, S. Schmitt, D. Fertig, D. Schaefer, J. Lenhard, H. Hasse: Reproducibility of Molecular Simulation Computer Experiments (Poster), The 27th Thermodynamics Conference, Bath, UK, 07.-09.09.2022.

D. Gond, J.-T. Sohns, H. Leitte, F. Jirasek, H. Hasse: Molecular Descriptors from Mixture Data, 32nd European Symposium on Applied Thermodynamics (ESAT), Graz, Austria, 17.-20-07.2022.

D. Gond, J.-T. Sohns, H. Leitte, F. Jirasek, H. Hasse: Learning Pure-component Descriptors from Mixture Data, (Bio)Process Engineering - a Key to Sustainable Development, Aachen, 12.-15.09.2022.

D. Gond, J.-T. Sohns, H. Leitte, F. Jirasek, H. Hasse: Learning Molecular Descriptors from Fluid Properties of Mixtures (Poster), Thermodynamik-Kolloquium, Chemnitz, 26.-28.09.2022.

O. Großmann, D. Bellaire, N. Hayer, F. Jirasek, H. Hasse: Prediction of Diffusion Coefficients at Infinite Dilution by Matrix Completion (Poster), (Bio)Process Engineering - a Key to Sustainable Development, Aachen, 12.-15.09.2022.

H. Hasse: Thermodynamics: from Demons and Molecules to Artificial Intelligence (Invited Lecture), Lecture series: "Looking beyond the horizon", Fraunhofer Institute of Industrial Mathematics (ITWM), Kaiserslautern, 26.07.2022.

H. Hasse: Digital Transformation of Chemical Engineering Science (Invited Lecture), ProcessNet und DECHEMA-BioTechNet Jahrestagung 2022, Aachen, 12.-15.09.2022.

H. Hasse, F. Jirasek: Machine Learning of Thermodynamic Properties of Mixtures (Invited Lecture), Final Colloquium of Collaborative Research Center / Transregio 63 InPROMPT, Frankfurt am Main, 31.03.-01.04.2022.

N. Hayer, F. Jirasek: Learning from Netflix – Recommender Systems for Predicting Thermodynamic Properties, Young Researchers Symposium, Kaiserslautern, 22.07.2022.

N. Hayer, F. Jirasek, H. Hasse: Prediction of Temperature-Dependent Henry's Law Constants by Matrix Completion (Poster), 32nd European Symposium on Applied Thermodynamics (ESAT), Graz, Austria, 17.-20.07.2022.

N. Hayer, F. Jirasek, H. Hasse: Prediction of Henrys's Law Constants by Matrix Completion (Poster), (Bio)Process Engineering - a Key to Sustainable Development, Aachen, 12.-15.09.2022.

N. Hayer, F. Jirasek, H. Hasse: Prediction of Temperature-dependent Henry's Law Constants by Matrix Completion (Poster), Thermodynamik-Kolloquium, Chemnitz, 26.-28.09.2022.

N. Hayer, T. Specht, J. Arweiler, H. Hasse, F. Jirasek: Prediction of Activity Coefficients by Similarity-based Imputation using Quantum-chemical Descriptors, Thermodynamik-Kolloquium, Chemnitz, 26.-28.09.2022.

F. Jirasek: Hybridizing Machine Learning and Physical Modeling of Mixtures (Invited Lecture), EFCE Spotlight Talks of Working Party on Thermodynamics and Transport Properties, Web-Conference, 25.11.2022.

F. Jirasek, D. Gond, N. Hayer, T. Specht, H. Hasse: Hybrid Models for Predicting Fluid Properties of Mixtures, 32nd European Symposium on Applied Thermodynamics (ESAT), Graz, Austria, 17.-20.07.2022.

F. Jirasek, N. Hayer, D. Gond, T. Specht, H. Hasse: Combining Machine Learning and Physical Modeling of Mixtures, Thermodynamik-Kolloquium, Chemnitz, 26.-28.09.2022.

M. Kohns: Thermodynamik von Elektrolytlösungen - von molekularen Grundlagen zu elektrochemischen Anwendungen (Invited Lecture), Thermodynamik-Kolloquium, Chemnitz, 26.-28.09.2022.

M. Kohns, J. Marx, K. Langenbach: Fundamentals of the Dielectric Behavior of Polar Fluids from Molecular Dynamics Simulations (Poster), Foundations of Molecular Modeling and Simulation (FOMMS) 2022: Molecular Modeling and the Data Revolution, Delavan, WI, USA, 17.21.07.2022.

M. Kohns, J. Marx, K. Langenbach: Dielectric Properties of Model Fluids from Molecular Dynamics and Perturbation Theories, Thermodynamics, Bath, UK, 07.-09.09.2022.

B. Kunstmann, M. Kohns, H. Hasse: Phase Equilibria of Solvent Mixtures for Spray Flame Synthesis of Nanomaterials (Poster), Thermodynamik-Kolloquium, Chemnitz, 26.-28.09.2022.

J. Marx, M. Kohns, K. Langenbach: Vapor Liquid Equilibria of Mixtures of Fluids with Different Polarity, 32nd European Symposium of Applied Thermodynamics (ESAT), Graz, Austria, 17.-20.07.2022.

J. Marx, M. Kohns, K. Langenbach: Phase Equilibria in Mixtures of Differently Polar Fluids: Molecular Simulation and Perturbation Theory, (Bio)Process Engineering - a Key to Sustainable Development, Aachen, 12.-15.09.2022.

J. Marx, M. Kohns, K. Langenbach: Theorie und molekulare Simulation der Dampf-Flüssigkeits-Gleichgewichte von Mischungen verschieden polarer Fluide, Thermodynamik-Kolloquium, Chemnitz, 26.-28.09.2022.

J. Marx, M. Kohns, K. Langenbach: Co-Oriented Fluid Functional Equation for Electrostatic Interactions (COFFEE) for Mixtures: Phase Behavior and Fluid Structure in Mixtures of Differently Polar Fluids, AIChE Annual Meeting, Phoenix, USA, 13.-18.11.2022.

S. Mross, D. Bellaire, M. Kohns, K. Münnemann, H. Hasse: Self-diffusion Coefficients in Mixtures of OME with Alkanes (Poster), Thermodynamik-Kolloquium, Chemnitz, 26.-28.09.2022.

S. Mross, D. Bellaire, K. Münnemann, H. Hasse: Self-diffusion Coefficients in Mixtures of OME with Alkanes (Poster), (Bio)Process Engineering - a Key to Sustainable Development, Aachen, 12.-15.09.2022.

J. Phuong, S. Mross, D. Bellaire, H. Hasse, K. Münnemann: Determination of Self-diffusion Coefficients in Mixtures with Benchtop 13C NMR-Spectroscopy (Poster), Thermodynamik-Kolloquium, Chemnitz, 26.-28.09.2022.

J. Phuong, E. Steimers, P. Nickolaus, U. Fischer, E. Von Harbou, Y. Matviychuck, D. Holland, H. Hasse, K. Münnemann: Benchtop NMR for Wine Analytics, MRFOOD 2022, Aarhus, Denmark, 07.-10.06.2022.

J. Phuong, E. Steimers, P. Nickolaus, E. Von Harbou, Y. Matviychuck, D. Holland, H. Hasse, K. Münnemann: Benchtop NMR Spectroscopy in Wine Production: A practical Tool for Monitoring Bioprocesses, (Bio)Process Engineering - a Key to Sustainable Development, Aachen, 12.-15.09.2022.

D. Schaefer, M. Kohns, H. Hasse: Molecular Modeling and Simulation of Aqueous Solutions of Alkali Nitrate Salts (Poster), The 27th Thermodynamics Conference, Bath, UK, 2022.

D. Schaefer, M. Kohns, H. Hasse: Molecular Modeling and Simulation of Aqueous Solutions of Alkali Nitrate Salts (Poster), (Bio)Process Engineering - a Key to Sustainable Development, Aachen, 12.-15.09.2022.

D. Schaefer, B. Kunstmann, M. Kohns, H. Hasse: Characteristics of Droplet Explosions Studied with Non-Equilibrium Molecular Dynamics Simulations, (Bio)Process Engineering - a Key to Sustainable Development, Aachen, 12.-15.09.2022.

D. Schaefer, B. Kunstmann, M. Kohns, H. Hasse: Characteristics of Droplet Explosions Studied with Non-Equilibrium Molecular Dynamics Simulations, AIChE Annual Meeting, Phoenix, USA, 13.-18.11.2022.

D. Schaefer, J. Staubach, S. Stephan, H. Hasse: Mass Transfer Through Vapor-Liquid Interfaces of Binary Mixtures Studied by Non-Stationary Molecular Dynamics Simulations, The 27th Thermodynamics Conference, Bath, UK, 07.-09.09.2022.

D. Schaefer, J. Staubach, S. Stephan, H. Hasse: Mass Transfer Through Vapor-Liquid Interfaces of Binary Mixtures Studied by Non-Stationary Molecular Dynamics Simulations (Poster), (Bio)Process Engineering - a Key to Sustainable Development, 12.-15.09.2022.

D. Schaefer, J. Staubach, S. Stephan, H. Hasse: Mass Transfer Through Vapor-Liquid Interfaces of Binary Mixtures Studied by Non-Stationary Molecular Dynamics Simulations (Poster), AIChE Annual Meeting, Phoenix, USA, 13.-18.11.2022.

S. Schmitt, G. Kanagalingam, D. Fröscher, F. Fleckenstein, H. Hasse, S. Stephan: Extending the MolMod Databas to Transferable Force Fields (Poster), AIChE Annual Meeting, Phoenix, USA, 13.-18.11.2022.

S. Schmitt, S. Stephan, H. Hasse: Heat Transfer at Solid-Fluid Interfaces: A Molecular Dynamics Simulation Study of the Kapitza Effect, Thermodynamik-Kolloquium, Chemnitz, 26.-28.09.2022.

S. Schmitt, S. Stephan, H. Hasse: Force Fields for the Prediction of Thermophysical Properties of Lubricants at Extreme Conditions (Poster), Thermodynamik-Kolloquium, Chemnitz, 26.-28.09.20222022.

S. Schmitt, S. Stephan, H. Hasse: Heat Transfer at Solid-Fluid Interfaces: A Molecular Dynamics Simulation Study of the Kapitza Effect, AIChE Annual Meeting, Phoenix, USA, 13.-18.11.2022.

S. Schmitt, S. Stephan, H. Hasse: Force Fields for the Prediction of Transport Properties of Lubricants at Extreme Conditions, AIChe Annual Meeting, Phoenix, USA, 13.-18.11.2022.

T. Specht, K. Münnemann, H. Hasse, F. Jirasek: The NEAT Toolbox for Thermodynamic Modeling of Poorly Specified Mixtures (Poster), Thermodynamik-Kolloquium, Chemnitz, 26.-28.09.2022.

T. Specht, K. Münnemann, F. Jirasek, H. Hasse: How Machine Learning Facilitates Thermodynamic Modeling of Complex Mixtures, 6. Tag der Verfahrenstechnik, Kaiserslautern, 04.11.2022.

J. Staubach, H. Hasse, S. Stephan: Modelling of Dipolar Contributions to the Helmholtz Energy, Thermodynamics, Bath, UK, 07.-09.09.2022.

J. Staubach, H. Hasse, S. Stephan: Modelling Dipolar Contributions with Equations of State (Poster), Thermodynamik-Kolloquium, Chemnitz, 26.28.09.2022.

J. Staubach, S. Stephan: Interfacial Properties for Phase Equilibria of Different Types and their Connection by the Phase Diagram (Poster), Thermodynamik-Kolloquium, Chemnitz, 26.-28.09.2022.

J. Staubach, S. Stephan: Interfacial Properties for Phase Equilibria of Different Types and their Connection by the Phase Diagram (Poster), Thermodynamics, Bath, UK, 07.-09.09.2022.

P. Zittlau, M. Kohns, F. Jirasek: Prediction of the Density of Electrolyte Solutions with Matrix Completion Methods (Poster), Thermodynamik-Kolloquium, Chemnitz, 26.-28.09.2022.

2021

E. Baumeister, M. Kohns, J. Burger: Modeling Phase Equilibria of Poorly Specified Mixtures Using a Perturbation Term, 13th European Congress of Chemical Engineering (ECCE) and 6th European Congress of Applied Biotechnology (ECAB), Web-Conference, 20.-23.09.2021.

E. Baumeister, M. Kohns, J. Burger: Measurement and Modeling of the Solubility of α-Lactose in Water-Ethanol Electrolyte Solutions Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.

M. Bortz, J. Damay, F. Jirasek, M. Von Kurnatowski, P. Ludl, R. Schmidt, J. Steimel: From Substance Data to Process Models – Use Cases for Machine Learning in Process Engineering, 13th European Congress of Chemical Engineering (ECCE) and 6th European Congress of Applied Biotechnology (ECAB), Web-Conference, 20.-23.09.2021.

M. Dyga, C. F. Breitkreuz, E. Forte, F. Jirasek, J. de Bont, J. Wery, T. Grützner, J. Burger, H. Hasse: Conceptual Design of a Crystallization-Based Production Process for Trioxane, Jahrestreffen der ProcessNet-Fachgemeinschaft Prozess-, Apparate- und Anlagentechnik (PAAT), Web-Conference, 22.-23.11.2021.

M. Dyga, A. Keller, H. Hasse: Thermodynamic Properties of Mixtures of Formaldehyde, Water, and Isoprenol (Poster), Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.

O. Grossmann, D. Bellaire, N. Hayer, F. Jirasek, H. Hasse: Establishment of a Database and Prediction of Diffusion Coefficients at Infinite Dilution (Poster), Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.

O. Großmann, S. Stephan, K. Langenbach, H. Hasse: Properties of Vapor-Liquid Interfaces: Molecular Simulations, Density Gradient Theory, and Experiments, International Workshop on Molecular Modeling and Simulation, Web-Conference, 01.-02.03.2021.

H. Hasse, J. Lenhard: Traveling With TARDIS. Prediction, Parameterization, and Ontology in Molecular Modeling and Simulation, Workshop "Transdisciplinary Model Transfer and its Interfaces", Web-Conference, 12.-13.032021.

H. Hasse, J. Lenhard: Created by Prediction. On the History, Ontology, and Computation of the Lennard-Jones Fluid, Workshop "Perils of Prediction", Web-Conference, 18.-19.03.2021.

N. Hayer, F. Jirasek, H. Hasse: Prediction of Henry's Law Constants by Matrix Completion (Poster), 31st European Symposium on Applied Thermodynamics (ESAT), Web-Conference, 05.-09.072021.

N. Hayer, F. Jirasek, H. Hasse: Prediction of Henry's Law Constants by Matrix Completion (Poster), Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.

N. Hayer, M. Kohns: Thermodynamically Rigorous Description of the Open Circuit Voltage of Redox Flow Batteries (Poster), Annual Meeting on Reaction Engineering, Web-Conference, 2021.

N. Hayer, M. Kohns: Thermodynamically Rigorous Description of the Open Circuit Voltage of Redox Flow Batteries (Poster), Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.

F. Jirasek: Machine Learning meets Physical Knowledge: Hybrid Models for the Prediction of Fluid Properties (Invited Lecture), 18th joint UNIFAC Consortium and DDBST User Meeting 2021, Web-Conference, 14.09.2021.

F. Jirasek, M. Bortz, H. Hasse: Matrix Completion Methods for Predicting Fluid Properties of Mixtures (Invited Lecture), Sitzung des ProcessNet-Arbeitsausschusses Modellgestützte Produktentwicklung und -optimierung, Web-Conference, 23.11.2021.

F. Jirasek, J. Damay, R. Alves, R. Vandermeulen, R. Bamler, M. Bortz, M. Kloft, S. Mandt, H. Hasse: Prediction of Activity Coefficients with Machine Learning, 31st European Symposium on Applied Thermodynamics (ESAT), Web-Conference, 05.-09.07.2021.

F. Jirasek, H. Hasse: Prediction of Activity Coefficients with Matrix Completion Methods, Symposium on Thermophysical Properties, Web-Conference, 20.-25.06.2021.

F. Jirasek, H. Hasse: Machine Learning in Thermodynamics (Invited Lecture), International Workshop "Mathematical Methods in Process Engineering - Modeling, Simulation, Optimization", Kaiserslautern, 30.09.-01.10.2021.

F. Jirasek, N. Hayer, T. Specht, J. Damay, M. Bortz, R. Abbas, B. Schmid, H. Hasse: Hybrid Predictive Fluid Property Models – Integration of Physical Knowledge in Data-driven Matrix Completion Methods, 13th European Congress of Chemical Engineering (ECCE) and 6th European Congress of Applied Biotechnology (ECAB), Web-Conference, 20.-23.-09.2021.

F. Jirasek, T. Specht, H. Hasse: Fingerprinting and Thermodynamic Modeling of Poorly Specified Mixtures with NMR Spectroscopy and Machine Learning Symposium on Thermophysical Properties, Web-Conference, 20.-25.06.2021.

M. Kohns: Molecular Simulation Study of the Relative Permittivity of Pure Fluids and Mixtures (Poster), 31st European Symposium on Applied Thermodynamics (ESAT), Web-Conference, 05.-09.07.2021.

M. Kohns, S. Kournopoulos, S. Di Lecce, G. Lazarou, E. Forte, F. A. Perdomo, G. Jackson, C. S. Adjiman, A. Galindo: Predictive Models for the Phase Behaviour and Solution Properties of Weak Electrolytes: Nitric, Sulfuric and Carbonic Acids (Poster), Symposium on Thermophysical Properties, Web-Conference, 20.-25.06.2021.

M. Kohns, S. Kournopoulos, S. Di Lecce, G. Lazarou, E. Forte, F. A. Perdomo, G. Jackson, C. S. Adjiman, A. Galindo: Modelling Aqueous Solutions of Strong and Weak Electrolytes with the SAFT-γ Mie Equation of State, 6th SAFT Symposium (Joint Event with 31st European Symposium on Applied Thermodynamics (ESAT)), Web-Conference, 05.-09.07.2021.

M. Kohns, S. Kournopoulos, S. Di Lecce, G. Lazarou, E. Forte, F. A. Perdomo Hurtado, G. Jackson, C. S. Adjiman, A. Galindo: Predictive Models for the Phase Behaviour and Solution Properties of Weak Electrolytes: Nitric, Sulfuric and Carbonic Acids (Poster), International Workshop on Molecular Modeling and Simulation, Web-Conference, 01.-02.03.2021.

M. Kohns, J. Marx, K. Langenbach: Molecular Thermodynamics Approach to the Relative Permittivity, International Workshop on Molecular Modeling and Simulation, Web-Conference, 01.-02.03.2021.

M. Kohns, J. Marx, K. Langenbach: Molecular Thermodynamics Approach to the Relative Permittivity, Symposium on Thermophysical Properties, Web-Conference, 20.-25.06.2021.

J. Kreusser, F. Jirasek, H. Hasse: Influence of Salts and pH Value on the Adsorption of Proteins on a Mixed-Mode Resin, European Symposium on Biochemical Engineering Sciences, Web-Conference, 04.-05.05.2021.

J. Kreusser, F. Jirasek, H. Hasse: Systematic Study of the Influence of the pH Value and Salts on the Adsorption of Proteins in Mixed-Mode Chromatography, 13th European Congress of Chemical Engineering (ECCE) and 6th European Congress of Applied Biotechnology (ECAB), Web-Conference, 20.-23.09.2021.

J. Kreusser, F. Jirasek, H. Hasse: Influence of Salts and pH Value on the Adsorption of Bovine Serum Albumin on a Mixed-Mode Resin, 40th International Symposium on the Separation of Proteins, Peptides & Polynucleotides (ISPPP), Porto, Portugal, 07.-10.11.2021.

A. Kulkarni, M. Bortz, K. H. Küfer, M. Kohns, H. Hasse: Multi-criteria Optimisation of Molecular Models of Water, Twenty-first Symposium on Thermophysical Properties, Web-Conference, 20.-26.06.2021.

A. Kulkarni, M. Bortz, K. H. Küfer, M. Kohns, H. Hasse: Multi-criteria Optimisation of Molecular Models of Water Using the Reduced Units Method (Poster), 31st European Symposium on Applied Thermodynamics (ESAT), Web-Conference, 05.-09.07.2021.

A. Kulkarni, M. Bortz, K. H. Küfer, M. Kohns, H. Hasse: Multi-criteria Optimisation of Molecular Models of Water Using the Reduced Units Method, Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.

A. Kulkarni, E. J. Garcia, A. Damone, S. Stephan, M. Schappals, M. Kohns, H. Hasse: A Molecular Model for Poly(oxymethylene) Dimethyl Ethers (Poster), Twenty-First Symposium on Thermophysical Properties, Web-Conference, 20.-26.06.2021.

A. Kulkarni, E. J. Garcia, A. Damone, S. Stephan, M. Schappals, M. Kohns, H. Hasse: A Force Field for Poly(oxymethylene) Dimethyl Ethers (Poster), 31st European Symposium on Applied Thermodynamics (ESAT), Web-Conference, 05.-09.07.2021.

A. M. Kulkarni, M. Bortz, K. H. Küfer, M. Kohns, H. Hasse: Multi-criteria Optimisation of Molecular Models of Water, International Workshop on Molecular Modeling and Simulation, Web-Conference, 01.-02.03.2021.

A. M. Kulkarni, E. J. Garcia, A. Damone, S. Stephan, M. Schappals, M. Kohns, H. Hasse: A Molecular Model for Poly(oxymethylene) Dimethyl Ethers (Poster), International Workshop on Molecular Modeling and Simulation Web-Conference, 01.-02.03.2021.

B. Kunstmann, M. Kohns, H. Hasse: Thermodynamic Properties of Solvent Mixtures for Spray Flame Synthesis of Nanomaterials: 2-Ethylhexanoic Acid (EHA) + (Ethanol / p-Xylene) (Poster), Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.

K. Langenbach, M. Kohns: Thermodynamic and Dielectric Properties from an Equation of State, 6th SAFT Symposium (Joint Event with 31st European Symposium on Applied Thermodynamics (ESAT)), Web-Conference, 05.-09.07.2021.

S. Müller, M. Kohns, E. Ströfer, H. Hasse: A Cold Plasma Reactor for Partial Oxidation of Methane, International Congress of Chemical and Process Engineering (CHISA), Web-Conference, 15.-18.03.2021.

S. Müller, M. Kohns, E. Ströfer, H. Hasse: Partial Oxidation of Methane in a Cold Plasma Reactor (Poster), Annual Meeting on Reaction Engineering, Web-Conference, 10.-12.05.2021.

S. Müller, M. Kohns, E. Ströfer, H. Hasse: Reaction Engineering Studies of a Cold Plasma Reactor, 13th European Congress of Chemical Engineering (ECCE) and 6th European Congress of Applied Biotechnology (ECAB), Web-Conference, 20.-23.09.2021.

J. Phuong, E. Steimers, J. Heiss, T. Specht, P. Nickolaus, U. Fischer, Y. Matviychuck, D. Holland, E. Von Harbou, K. Münnemann: Benchtop NMR & Wine: A New Analytical Tool for Better Tasting Wines, Compact NMR Conference II, Web-Conference, 11.-13.10.2021.

D. Schäfer, M. Kohns, H. Hasse: Molecular Modeling and Simulation of Aqueous Solutions of Alkali Nitrate Salts (Poster), Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.

D. Schäfer, S. Stephan, K. Langenbach, H. Hasse: Mass Flux Through Vapor-Liquid Interfaces: A Molecular Simulation Study, International Workshop on Molecular Modeling and Simulation, Web-Conference, 01.-02.03.2021.

D. Schäfer, S. Stephan, K. Langenbach, H. Hasse: Mass Flux Through Vapor-Liquid Interfaces: A Molecular Simulation Study, Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.

S. Schmitt, S. Stephan, H. Hasse: A Comparison of Classical Force Fields for the Prediction of Transport Properties of Lubricants (Poster), International Workshop on Molecular Modeling and Simulation, Web-Conference, 01.-02.03.2021.

S. Schmitt, S. Stephan, H. Hasse: A Comparison of Classical Force Fields for the Prediction of Transport Properties of Lubricants (Poster), Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.

T. Specht, K. Münnemann, F. Jirasek, H. Hasse: Quantitative Fingerprinting and Thermodynamic Modeling of Poorly Specified Mixtures with NMR Spectroscopy and Machine Learning, 31st European Symposium of Applied Thermodynamics (ESAT), Web-Conference, 05.-09.07.2021.

T. Specht, K. Münnemann, F. Jirasek, H. Hasse: NEAT 2.0 – Thermodynamic Modeling of Poorly Specified Mixtures with NMR Spectroscopy and Machine Learning, Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.

J. Staubach, M. Heier, S. Stephan, K. Langenbach, H. Hasse: Wetting and Adsorption of Binary Mixtures on a Planar Wall (Poster), International Workshop on Molecular Modeling and Simulation, Web-Conference, 01.-02.03.2021.

J. Staubach, S. Stephan, H. Hasse: Interfacial Properties of Polar Model Fluids: A Study by MD and DGT (Poster), International Workshop on Molecular Modeling and Simulation, Web-Conference, 01.-02.03.2021.

J. Staubach, S. Stephan, H. Hasse: Interfacial Properties of Phase Equilibria of Different Types and their Connection to the Phase Diagram, Symposium on Thermophysical Properties, Web-Conference, 20.-25.06.2021.

J. Staubach, S. Stephan, H. Hasse: Interfacial Properties of Polar Model Fluids: A Study by MD and DGT (Poster), Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.

J. Staubach, S. Stephan, H. Hasse: Investigation of the Enrichment at Vapor-Liquid Interfaces (Poster), Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.

2020

A. Friebel, J. Phuong, K. Münnemann, E. von Harbou, H. Hasse: Benchtop NMR Spectroscopy: A New Analytical Tool in Fluid Process Engineering (Poster), Jahrestreffen der ProcessNet-Fachgruppen Fluidverfahrenstechnik, Adsorption und Extraktion, Berchtesgaden, 26.-28.02.2020.

N. Galeotti, J. Kreußer, E. Hackemann, H. Hasse: Influence of Mixed Electrolytes on HIC-Adsorption and Prediction of Chromatographic Elution Profiles, Jahrestreffen der ProcessNet-Fachgruppen Fluidverfahrenstechnik, Adsorption und Extraktion, Berchtesgaden, 26.-28.02.2020.

F. Jirasek: Machine Learning in Thermodynamics (Invited Lecture), Symposium on Mathematical Methods in Process Engineering, Wartenberg-Rohrbach, 08.10.2020.

E. Kessler, L. Ninni, T. Breug-Nissen, R. Schneider, M. Irfan, B. Willy, J. Rolker, E. von Harbou, H. Hasse: Benefits and Drawbacks of Liquid-liquid Demixing Solvents for Reactive CO2-absorption: An Assessment based on Physico-chemical Data, Jahrestreffen der ProcessNet-Fachgruppen Fluidverfahrenstechnik, Adsorption und Extraktion, Berchtesgaden, 26.-28.02.2020.

M. Kohns, A. Keller, I. Wlokas, H. Hasse: Thermophysical Properties and Reactions in Precursor Solutions for the Production of Nanoparticles, 4th International Symposium Gas‐Phase Synthesis of Functional Nanomaterials: Fundamental Understanding, Modeling and Simulation, Diagnostics, Scale‐up and Application, Duisburg (web conference) 6.10.-09.10.2020.

A. M. Kulkarni, M. Bortz, K. H. Küfer, M. Kohns, H. Hasse: Multi-criteria Optimisation and Dimensionless Quantities: Applications in Thermodynamics (Poster), Indo-German Workshop on Advances in Materials, Reaction and Separation Processes, Berlin, 23.02-26.02.2020.

J. Marx, K. Langenbach: Thermodynamics and Molecular Orientation Structure in Mixtures of Fluids with Strongly Different Polarity, ProcessNet-Jahrestagung und DECHEMA-Jahrestagung der Biotechnologen, Web-Konferenz, 21.-24.09.2020.

S. Müller, M. Kohns, E. Ströfer, H. Hasse: Gas Phase Reactions of Methane and Oxygen in Cold Plasma (Poster), ProcessNet-Jahrestagung und DECHEMA-Jahrestagung der Biotechnologen, Web-Konferenz, 21.-24.09.2020.

2019

D. Bellaire, H. Hasse, K. Münnemann: Self- and Transport Diffusion Coefficients from NMR Experiments (Poster), Quantitative NMR Methods for Reaction and Process Monitoring (NMRPM), Kaiserslautern, 31.01.-01.02.2019.

D. Bellaire, H. Kiepfer, K. Münnemann, H. Hasse: NMR Measurements and Molecular Simulation of Self-Diffusion Coefficients in Binary and Ternary Mixtures Containing Toluene, Acetone, Cyclohexane and Ethanol (Poster), Thermodynamik Kolloquium, Duisburg, 30.09.-02.10.2019.

D. Bellaire, K. Münnemann, H. Hasse: Self- and Transport Diffusion Coefficients from NMR Experiments (Poster), Diffusion Fundamentals, Erlangen, 01.-05.09.2019.

J. Damay, R. Alves, F. Jirasek, R. Vandermeulen, M. Bortz, M. Kloft, H. Hasse: Machine Learning in Thermodynamics: A Matrix Completion Method for the Prediction of Activity Coefficients at Infinite Dilution, Thermodynamik Kolloquium, Duisburg, 30.09.-02.10.2019.

M. Dyga, A. Keller, H. Hasse: Thermodynamically Consistent Model of Chemical Equilibria and Reaction Kinetics in the System Formaldehyde + Water + Isoprenol (Poster), Thermodynamik Kolloquium, Duisburg, 30.09.-02.10.2019.

A. Friebel, K. Münnemann, E. von Harbou, H. Hasse: Benchtop NMR Spectroscopy Enables In-situ Studies of Phase Equilibria and Batch Distillation (Poster), Practical Applications of NMR in Industry Conference (PANIC), Hilton Head Island, SC, USA, 03.-07.03.2019.

A. Friebel, E. von Harbou, K. Münnemann, H. Hasse: Quantification of Fast Flow NMR Measurements by Modeling of Magnetization Build-up (Poster), Quantitative NMR Methods for Reaction and Process Monitoring (NMRPM), Kaiserslautern, 31.01.-01.02.2019.

A. Friebel, E. von Harbou, K. Münnemann, H. Hasse: Quantification of Fast Flow NMR Measurements by Modeling of Magnetization Build-up (Poster), Practical Applications of NMR in Industry Conference (PANIC), Hilton Head Island, SC, USA, 03.-07.03.2019.

O. Großmann, S. Stephan, J. Butz, K. Langenbach, H. Hasse: Interfacial Properties and Gas Solubility of Binary Mixtures (Poster), Thermodynamik Kolloquium, Duisburg, 30.09.-02.10.2019.

H. Hasse: Molecular Simulations in the Chemical Industry: Toys or Tools? (Invited Lecture), Workshop Evonik, Hanau, 21.11.2019.

H. Hasse, M. Bortz: Digitalisierung in der Verfahrenstechnik (Invited Lecture), DFG Rundgespäch Chemische und Thermische Verfahrenstechnik, Dechema, Frankurt, 27.02.2019.

M. Heier, F. Diewald, R. Merz, K. Langenbach, M. Kopnarski, R. Müller, H. Hasse: Adsorption und Benetzung an Bauteiloberflächen, 5. Tag der Verfahrenstechnik, Kaiserslautern, 17.10.2019.

M. Heier, R. Merz, H. Hasse, M. Kopnarski: Cleaning and Wetting of Component Surfaces (Poster), Thermodynamik Kolloquium, Duisburg, 30.09.-02.10.2019.

D. Holland, Y. Matviychuk, E. Steimers, E. Kessler, E. von Harbou: Quantitative NMR using a Quantum Mechanical Spectral Model, Quantitative NMR Methods for Reaction and Process Monitoring (NMRPM), Kaiserslautern, 31.01.-01.02.2019.

A. Keller, J. Burger, M. Kohns, H. Steinmetz, H. Hasse: Thermodynamische Modellierung und Prozesssimulation der Phosphorrückgewinnung aus Abwasser, Jahrestreffen der ProcessNet-Fachgruppen Fluidverfahrenstechnik und Membrantechnik, Potsdam, 27.-29.03.2019.

R. Kircher, C. F. Breitkreuz, J. Burger, H. Hasse: Understanding Thermodynamics of Formaldehyde Solutions, Thermodynamik Kolloquium, Duisburg, 30.9.-2.10.2019.

R. Kircher, C. F. Breitkreuz, H. Hasse: A Generalized Chemical Equilibrium and an Extended Phase Equilibrium of Formaldehyde in Alcoholic and Aqueous Solution, 5. Tag der Verfahrenstechnik, Kaiserslautern, 17.10.2019.

R. Kircher, H. Hasse, K. Münnemann: Overhauser Dynamic Nuclear Polarization as Solution for the Premagnetization Issue in Fast Flow NMR Applications (Poster), Quantitative NMR Methods for Reaction and Process Monitoring (NMRPM), Kaiserslautern, 2019.

M. Kohns: Thermodynamic Modelling of Electrolyte Solutions (Invited Lecture), Annual Meeting of the Statistical Mechanics and Thermodynamics Group of the Royal Society of Chemistry: “Solving the Electrolyte Problem”, Manchester, UK, 09.-11.01.2019.

M. Kohns, S. Kournopoulos, S. die Lecce, G. Lazarou, E. Forte, F. A. Perdomo Hurtado, G. Jackson, C. S. Adjiman, A. Galindo: Modelling Electrolyte Solutions with the SAFT-γ Mie Equation of State, Thermodynamik Kolloquium, Duisburg, 30.09.-02.10.2019.

M. Kohns, G. Lazarou, E. Forte, F. A. Perdomo Hurtado, G. Jackson, C. S. Adjiman, A. Galindo: Thermodynamic Modelling of Weak Electrolytes Using the SAFT-g Mie Equation of State (Poster), International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD), Vancouver, Canada, 12.-16.05.2019.

M. Kohns, G. Lazarou, E. Forte, F. A. Perdomo Hurtado, G. Jackson, C. S. Adjiman, A. Galindo: Thermodynamic Modelling of Weak Electrolytes Using the SAFT-g Mie Equation of State (Poster), Thermodynamics, Huelva, Spain, 26.-28.06.2019.

A. M. Kulkarni, E. Garcia, A. Damone, S. Stephan, M. Schappals, M. Kohns, H. Hasse: A Transferable Force Field for Poly(oxymethylene) Dimethyl Ethers (Poster), Thermodynamik Kolloquium, Duisburg, 30.09.-02.10.2019.

A. M. Kulkarni, M. Kohns, M. Bortz, H. Hasse: Pareto Optimisation of Molecular Models of Water using a Reduced Units Approach (Poster), Thermodynamik Kolloquium, Duisburg, 30.09.-02.10.2019.

K. Langenbach: Orientierung der Moleküle – Theorie und Simulation (Invited Lecture), Thermodynamik Kolloquium, Duisburg, 30.09.-02.10.2019.

Y. Matviychuk, E. Steimers, E. Kessler, E. von Harbou, K. Münnemann: Towards Accurate Uncertainty Estimation in Model-Based Analysis of NMR Data (Poster), Practical Applications of NMR in Industry Conference (PANIC), Hilton Head Island, SC, USA, 03.-07.03.2019.

Y. Matviychuk, E. Steimers, E. Kessler, E. von Harbou, K. Münnemann, D. Holland: Accurate Uncertainty Estimation in Model-Based qNMR (Poster), Quantitative NMR Methods for Reaction and Process Monitoring (NMRPM), Kaiserslautern, 31.01.-01.02.2019.

S. Schmitt, S. Stephan, H. Hasse: Investigation of the Influence of the Chain Lenght of Alkanes in a Nanotribological System (Poster), Thermodynamik-Kolloquium, Duisburg, 30.09-02.10.2019.

T. Specht, F. Jirasek, H. Hasse: NEAT - NMR spectroscopy for the estimation of activity coefficients of target components in poorly specified mixtures (Poster), Quantitative NMR Methods for Reaction and Process Monitoring (NMRPM), Kaiserslautern, 31.01.-01.02.2019.

T. Specht, F. Jirasek, H. Hasse: NEAT - Estimation of Activity Coefficients of Target Components in Poorly Specified Mixtures with NMR Spectroscopy and COSMO-RS (Ol) (Poster), Thermodynamik Kolloquium, 2019, 30.09.-02.10.2019.

E. Steimers, Y. Matviychuk, D. Bellaire, K. Münnemann, E. von Harbou: Bayesian Method for Quantitative Analysis of NMR Signals in Reaction and Process Monitoring (Poster), Quantitative NMR Methods for Reaction and Process Monitoring (NMRPM), Kaiserslautern, 31.01.-01.02.2019.

E. Steimers, Y. Matviychuk, K. Münnemann, D. Holland, E. von Harbou: Automated Quantitative Analysis of Benchtop NMR Data (Poster), Small Molecule NMR Conference (SMASH), Porto, Portugal, 22.-25.09.2019.

S. Stephan, O. Grossmann, D. Schäfer, K. Langenbach, H. Hasse: Enrichment of Components at Vapor-Liquid Interfaces: Origin and Influence on Mass Transfer, Thermodynamik Kolloquium, Duisburg, 30.09.-02.10.2019.

S. Stephan, H. Hasse, M. T. Horsch, J. Vrabec: The Database of the Molecular Models of the Boltzmann-Zuse Society (Poster), EMMC-eSSENCE, Uppsala, Sweden, 03.-05.06.2019.

S. Stephan, H. Hasse, M. T. Horsch, J. Vrabec: The Database of the Molecular Models of the Boltzmann-Zuse Society (Poster), EMMC International Workshop, Vienna, Austria, 25.-27.02.2019.

S. Stephan, K. Langenbach, H. Hasse: Enrichment of Components at Vapour-liquid Interfaces: A Study by Molecular Simulation and Density Gradient Theory, Jahrestreffen der ProcessNet-Fachgruppen Fluidverfahrenstechnik und Membrantechnik, Potsdam, 27.-29.03.2019.

2018

D. Ackermann, M. Bortz, J. Neuhaus, E. von Harbou, J. Saß: Adaptive Calculation of Global Sensitivity Indices, 13th German Probability and Statistics Days, Freiburg, 27.02.-02.03.2018.

R. Behrens, A. Jones, G. Lloyd-Jones, E. von Harbou, H. Hasse: Research Stay: Reaction Monitoring with Different Rapid-Mixing NMR Setups, Jahrestreffen Reaktionstechnik, Würzburg, 07.-09.05.2018.

R. Behrens, A. Jones, G. Lloyd-Jones, E. von Harbou, H. Hasse: Research Stay: Reaction Monitoring with Different Rapid-Mixing NMR Setups (Poster), Jahrestreffen Reaktionstechnik, Würzburg, 07.-09.05.2018.

D. Bellaire, H. Kiepfer, K. Münnemann, H. Hasse: NMR Measurements and Molecular Simulation of Self-Diffusion Coefficients in Binary and Ternary Mixtures Containing Toluene, Acetone, Cyclohexane and Ethanol (Poster), Small Molecule NMR Conference (SMASH), Philadelphia, Pennsylvania, USA, 16.-19.09.2018.

A. Friebel, K. Münnemann, E. von Harbou, H. Hasse: Studies of Phase Equilibria and Batch Distillation with Benchtop NMR Spectroscopy (Poster), Small Molecule NMR Conference (SMASH), Philadelphia, Pennsylvania, USA, 16.-19.09.2018.

A. Friebel, K. Münnemann, E. von Harbou, H. Hasse: Studies of Phase Equilibria and Batch Distillation with Benchtop NMR Spectroscopy, Small Molecule NMR Conference (SMASH), Philadelphia, Pennsylvania, USA, 16.-19.09.2018.

A. Friebel, K. Münnemann, E. von Harbou, H. Hasse: Studies of Phase Equilibria and Batch Distillation with Benchtop NMR Spectroscopy (Poster), Thermodynamik-Kolloquium, Kassel, 26.-28.09.2018.

A. Friebel, B. Ripka, H. Hasse, K. Münnemann: Signal Enhanced Medium-field NMR Spectroscopy by Parahydrogen Induced Polarization (PHIP) (Poster), International Conference on Nuclear Hyperpolarization (HYP), Southampton, UK, 02.-05.09.2018.

N. Galeotti, J. Burger, H. Hasse: Recovery of Furfural and Acetic Acid from Sugar-containing Solutions in Biotechnological Downstream Processing, Jahrestreffen der ProcessNet-Fachgruppen Fluidverfahrenstechnik, Membrantechnik und Mischvorgänge, München-Unterhaching, 27.-28.02.2018.

N. Galeotti, E. Hackemann, H. Hasse: Influence of Mixed Electrolyted on HIC-Absorption and Prediction of Chromatographic Elution Profiles, ProcessNet Jahrestagung und 33. DECHEMA-Jahrestagung der Biotechnologen, Aachen, 10.-13.09.2018.

N. Galeotti, E. Hackemann, H. Hasse: Influence of Mixed Electrolytes on HIC-Adsorption and Prediction of Chromatographic Elution Profiles, 38th International Symposium on the Separation of Proteins, Peptides, and Polynucleotides (ISPPP), Berlin, 04.-07.11.2018.

N. Galeotti, E. Hackemann, J. Kreußer, H. Hasse: Modeling the Influence of Mixed Electrolytes on Adsorption and Prediction of Elution Profiles in Hydrophobic Interaction Chromatography (Poster), Thermodynamik-Kolloquium, Kassel, 26.-28.09.2018.

N. Galeotti, H. Hasse, J. Burger: Thermodynamic Data and Conceptual Design of a Process for the Recovery of Furfural and Acetic Acid from Sugar-containing Solutions, Thermodynamik-Kolloquium, Kassel, 26.-28.09.2018.

E. Garcia, A. Damone, H. Hasse: Co-nonsolvency and Salting Out of Poly(n-isopropylacrylamide) Studied by All-atom Molecular Dynamics Simulations, Thermodynamik-Kolloquium, Kassel, 26.-28.09.2018.

H. Hasse: OME Process Engineering for New Synthetic Fuels, CBI Kolloquium, Erlangen, 17.05.2018.

H. Hasse: Digitalization in Thermodynamics (Invited Lecture), 30th European Symposium on Applied Thermodynamics (ESAT), Prague, Czech Republic, 10.-13.06.2018.

H. Hasse: Digitalization in Thermodynamics (Invited Lecture), Theoretical Chemistry Seminar of the University of Chemical Technology, Prague, Czech Republic, 12.06.2018.

H. Hasse: Digitalization in Thermodynamics (Invited Lecture), International Workshop on Mathematical Methods in Process Engineering (MMPE), Kaiserslautern, 06.-07.09.2018.

H. Hasse: Systematic Errors in Molecular Simulation (Invited Lecture), Final Scientific Conference of SFB 716 "Dynamic Simulation of Systems with Large Particel Numbers", Heidelberg, 24.-26.09.2018.

H. Hasse: Microscale Morphology of Component Surfaces (Invited Lecture), International Symposium on Process Signatures, Bremen, 13.-14.11.2018.

M. Heier, M. Horsch, F. Diewald, K. Langenbach, R. Müller, H. Hasse: Systematic Molecular Dynamics Simulation Study of Adsorption and Contact Angles in Dispersive Systems, 30th European Symposium on Applied Thermodynamics (ESAT), Prague, Czech Republic, 10.-13.06.2018.

M. Heier, M. Horsch, F. Diewald, K. Langenbach, R. Müller, H. Hasse: Systematic Molecular Dynamics Simulation Study of Adsorption and Contact Angles in Dispersive Systems, 20th Symposium on Thermophysical Properties, Boulder, Colorado, USA, 24.-29.06.2018.

M. Heier, J. Liu, W. G. Chapman, K. Langenbach, H. Hasse: Comprehensive Study of Adsorption on Planar Walls in Dispersive Systems with Molecular Dynamics Simulations, Thermodynamik-Kolloquium, Kassel, 26.-28.09.2018.

M. Heier, R. Merz, S. Becker, H. Hasse, M. Kopnarski: Reinigung und Benetzung von Bauteiloberflächen, 20. Arbeitstagung Angewandte Oberflächenanalytik, Kaiserslautern, 03.-05.09.2018.

F. Jirasek, J. Burger, H. Hasse: NMR Spectroscopic Method for Estimating Activity Coefficients of Target Components in Poorly Specified Mixtures, 30th European Symposium on Applied Thermodynamics (ESAT), Prague, Czech Republic, 10.-13.06.2018.

F. Jirasek, J. Burger, H. Hasse: NMR Spectroscopic Method for Estimating Activity Coefficients of Target Components in Poorly Specified Mixtures, 20th Symposium on Thermophysical Properties, Boulder, Colorado, USA, 24.-29.06.2018.

F. Jirasek, J. Burger, H. Hasse: Influence of Electrolytes and pH on the Solubility of 2-Keto-L-gulonic Acid in Aqueous Solutions (Poster), 20th Symposium on Thermophysical Properties, Boulder, Colorado, USA, 24.-29.06.2018.

F. Jirasek, J. Burger, H. Hasse: NMR Spectroscopic Method for Estimating Activity Coefficients of Target Components in Poorly Specified Mixtures in Bioprocess Engineering, ProcessNet Jahrestagung und 33. DECHEMA-Jahrestagung der Biotechnologen, Aachen, 10.-13.09.2018.

F. Jirasek, J. Burger, H. Hasse: NEAT – NMR Spectroscopy for the Estimation of Activity Coefficients of Target Components in Poorly Specified Mixtures, Thermodynamik-Kolloquium, Kassel, 26.-28.09.2018.

A. Keller, J. Burger, M. Kohns, H. Steinmetz, H. Hasse: Thermodynamische Modellierung und Prozesssimulation der Phosphorrückgewinnung aus Abwasser, ProcessNet Jahrestreffen, Aachen, 10.-13.09.2018.

A. Keller, J. Burger, H. Steinmetz, H. Hasse: Thermodynamische Modellierung der Phosphorrückgewinnung aus Abwasser, Jahrestreffen der ProcessNet-Fachgruppen Extraktion und Rohstoffe, 12.-13.03.2018.

E. Kessler, L. Ninni Schäfer, B. Willy, R. Schneider, M. Irfan, J. Rolker, E. von Harbou, H. Hasse: Structure-property-relationships for New Amines for Reactive CO2 Absorption, AIChE Spring Meeting, Orlando, USA, 22.-26.04.2018.

E. Kessler, L. Ninni Schäfer, B. Willy, R. Schneider, M. Irfan, J. Rolker, E. von Harbou, H. Hasse: Structure-property-relationships for the Design of Amines for the Reactive CO2 Absorption, 30th European Symposium on Applied Thermodynamics (ESAT), Prague, Czech Republic, 10.-13.06.2018.

E. Kessler, L. Ninni Schäfer, B. Willy, R. Schneider, M. Irfan, J. Rolker, E. von Harbou, H. Hasse: Structure-Property Relationships for New Amines for Reactive CO2 Absorption, Distillation and Absorption, Florence, Italy, 16.-19.09.2018.

R. Kircher, H. Hasse, K. Münnemann: Dynamic Nuclear Polarization Enables Fast Flow NMR Reaction and Process Monitoring, Small Molecule NMR Conference (SMASH), Philadelphia, Pennsylvania, USA, 16.-19.09.2018.

R. Kircher, H. Hasse, K. Münnemann: Dynamic Nuclear Polarization Enables NMR Reaction/Process Monitoring in the Fast Flow Regime (Poster), Small Molecule NMR Conference (SMASH), Philadelphia, Pennsylvania, USA, 16.-19.09.2018.

R. Kircher, H. Hasse, K. Münnemann: Dynamic Nuclear Polarization Enables NMR Reaction/Process Monitoring in the Fast Flow Regime (Poster), International Conference on Nuclear Hyperpolarization (HYP), Southampton, UK, 02.-05.09.2018.

R. Kircher, H. Hasse, K. Münnemann: Improved Flow NMR Process Monitoring by a Transfer of Angular Momentum (DNP) (Poster), JEMS Satellite meeting, Mainz, 03.-07.09.2018.

A. M. Kulkarni, E. Garcia, S. Stephan, A. Damone, M. Kohns, H. Hasse: A Transferable Force Field for Poly(oxymethylene) Dimethyl Ethers (Poster), Thermodynamik-Kolloquium, Kassel, 26.-28.09.2018.

K. Langenbach: Description and Prediction of Thermodynamic and Structural Properties of Dipolar Description and Prediction of Thermodynamic and Structural Properties of Dipolar Fluids using a Functional Equation of State: Co-Oriented Fluid Functional Equation for Electrostatic Interactions, 30th European Symposium on Applied Thermodynamics (ESAT), Prague, Czech Republic, 10.-13.06.2018.

K. Langenbach, W. G. Chapman: Functional Equation of State for Species with Non-Central Dipole: Co-Oriented Fluid Functional Equation for Electrostatic Interactions, 20th Symposium on Thermophysical Properties, Boulder, Colorado, USA, 24.-29.06.2018.

K. Langenbach, A. Fröscher, E. von Harbou, W. Thiel, H. Hasse: Associating Lattice Cluster Theory zur quantitativen Vorhersage von Flüssig-flüssig Gleichgewichten in bio-basierten Systemen, ProcessNet-Jahrestagung, Aachen, 10.-13.09.2018.

M. Lautenschläger, H. Hasse: Influence of the Solid-Fluid Adsorption Interaction on Thermal, Caloric and Transport Properties of Fluids: A NEMD Study of Lennard-Jones Systems (Poster), CECAM Workshop "Collective Behavior of Soft and Active Matter Under Confinement", Mainz, 24.-26.09.2018.

Y. Matviychuk, E. Steimers, E. Kessler, E. von Harbou, K. Münnemann, D. Holland: Assessment of Uncertainty in Quantification with Benchtop NMR using Bayesian Analysis (Poster), Small Molecule NMR Conference (SMASH), Philadelphia, Pennsylvania, USA, 16.-19.09.2018.

K. Münnemann: Hyperpolarization for NMR and MRI Signal Enhancement (Invited Lecture), Mini-Symposium on Emerging Trends in Molecular Magnetism and Spintronics, Mainz, 24.01.2018.

K. Münnemann: Towards Improved Process Monitoring by Overhauser DNP (Invited Lecture), DFG-Symposium on DNP-NMR, Bonn, 20.04.2018.

K. Münnemann: Overview Supply Chain Hyperfine and Exchange Interaction (Invited Lecture), JEMS Satellite meeting, Mainz, 03.-07.09.2018.

K. Münnemann: Fighting the Lifetime Issue of NMR Hyperpolarisation by Parahydrogen, International Conference on Nuclear Hyperpolarisation (HYP18), Southhampton, Great Britain, 02.-05.09.2018.

N. Schmitz, E. Ströfer, J. Burger, H. Hasse: A Novel Process for the Production of Poly(oxymethylene) Dimethyl Ethers (OME), Jahrestreffen der ProcessNet-Fachgruppen Fluidverfahrenstechnik, Membrantechnik und Mischvorgänge, München-Unterhaching, 27.-28.02.2018.

S. Stephan, M. T. Horsch, J. Vrabec, H. Hasse: Molecular Models of the Boltzmann Zuse Society (Poster), 20th Symposium on Thermophysical Properties, Boulder, Colorado, USA, 24.-29.06.2018.

S. Stephan, K. Langenbach, H. Hasse: Interfacial Properties of Binary Lennard-Jones Mixtures by Molecular Simulation and Density Gradient Theory, 30th European Symposium on Applied Thermodynamics (ESAT), Prague, Czech Republic, 10.-13.06.2018.

S. Stephan, K. Langenbach, H. Hasse: Enrichment of Components at Vapor-Liquid Interfaces: A Study by Molecular Simulation and Density Gradient Theory, Distillation & Absorption, Florence, Italy, 16.-19.09.2018.

S. Stephan, J. Liu, K. Langenbach, W. G. Chapman, H. Hasse: Vapor-liquid Interfacial Properties of the Lennard-Jones Truncated and Shifted Fluid: A Comparative Study by Molecular Simulation, DFT, and DGT, 20th Symposium on Thermophysical Properties, Boulder, Colorado, USA, 24.-29.06.2018.

S. Stephan, J. Liu, K. Langenbach, W. G. Chapman, H. Hasse: Vapor-liquid Interfacial Properties of the Lennard-Jones Truncated and Shifted Fluid: A Comparative Study by Molecular Simulation, DFT, and DGT, Workshop Fundamental Theoretical Approaches to the Equation of State, Manchester, UK, 08.01.2018.

S. Stephan, H. Urbassek, H. Hasse: Mechanical Effects of Lubrication on a Nanoscale Contact Process, Physical Modeling for Virtual Manufacturing Systems and Processes, Tahoe City, California, USA, 24.-26.09.2018.

2017

R. Behrens, E. von Harbou, H. Hasse: Quantitative NMR Spectroscopic Study of Highly Dilute Key Components in Complex Reactive Mixtures: CO2 in Aqueous Amine Solutions (Poster), NMRPM, Kaislerslautern, 19.-20.01.2017.

R. Behrens, E. von Harbou, H. Hasse: Quantitative NMR Spectroscopic Study of Highly Dilute Key Components in Complex Reactive Mixtures: CO2 in Aqueous Amine Solutions (Poster), PANIC, Hilton Head Island, USA, 20.-23.2.2017.

R. Behrens, E. von Harbou, H. Hasse: NMR Spectroscopic Study of Solutions of Carbon Dioxide in Aqueous Alkanolamines: Discovery of New Major Species (Poster), Thermodynamik-Kolloquium, Dresden, 27.-29.09.2017.

R. Behrens, E. von Harbou, H. Hasse: Quantitative NMR Spectroscopic Study of Highly Dilute Key Components in Complex Reactive Mixtures: CO2 in Aqueous Amine Solutions, 16ème Congrès de la Société Française de Génie des Procédés, Nancy, France, 11.-13.07.2017.

E. Forte, J. Burger, M. Bortz, H. Hasse: Multi-criteria Optimization for Parametrization of Activity Coefficient Models, Thermodynamik-Kolloquium, Dresden, 27.-29.09.2017.

E. Forte, J. Burger, K. Langenbach, M. Bortz, H. Hasse: A Pareto-based Approach for Parametrization of Thermodynamic Models, Jahrestreffen der ProcessNet-Fachgemeinschaft "Prozess-, Apparate- und Anlagentechnik", Würzburg, 20.-21.11.2017.

E. Forte, J. Burger, K. Langenbach, M. Bortz, H. Hasse: Multi-criteria Optimization of Thermodynamic Models: Describing Water with PCP-SAFT as an Example, SAFT, Heidelberg, 11.-13.05.2017.

A. Friebel, K. Münnemann, E. von Harbou, H. Hasse: In-situ Measurement of Physico-chemical Properties of Liquids by Benchtop Nuclear Magnetic Resonance Spectroscopy, 29th European Symposium on Applied Thermodynamics, Bucharest, Romania, 18.-21.05.2017.

A. Friebel, K. Münnemann, E. von Harbou, H. Hasse: In-situ Online Monitoring of Chemical Reactions by Benchtop Nuclear Magnetic Resonance (NMR) Spectroscopy (Poster), ProcessNet Jahrestreffen Reaktionstechnik, Würzburg, 22.-24.05.2017.

A. Fröscher, K. Langenbach, E. von Harbou, W. Thiel, H. Hasse: Predicting Liquid-liquid Equilibria with Associating Lattice Cluster Theory, 29th European Symposium on Applied Thermodynamics, Bucharest, Romania, 18.-21.05.2017.

N. Galeotti, J. Burger, H. Hasse: Vapor-liquid and Liquid-liquid Equilibria in Aqueous-organic Systems Containing Sugars (Poster), Thermodynamik-Kolloquium, Dresden, 27.-29.09.2017.

N. Galeotti, J. Burger, H. Hasse: Influence of C5 Sugars on Vapor-liquid and Liquid-liquid Equilibria in Aqueous-organic Systems (Poster), World Congress of Chemical Engineering, Barcelona, Spain, 01.-05.10.2017.

E. Garcia, D. Bhandary, M. Horsch, H. Hasse: A New Molecular Simulation Scenario for Studying the Coil-to-globule Transition of Polymers and Application to Poly(N-isopropylacrylamide) (Poster), Thermodynamik-Kolloquium, Dresden, 27.-29.09.2017.

E. Garcia, M. Horsch, H. Hasse: A New Simulation Scenario for the Coil-to-globule Transition of Thermoresponsive Polymers, 29th European Symposium on Applied Thermodynamics, Bucharest, Romania, 18.-21.05.2017.

E. Garcia, M. Horsch, H. Hasse: A New Simulation Scenario for the Coil-to-globule Transition of Thermoresponsive Polymers, International Workshop on Molecular Modeling and Simulation, Frankfurt am Main, 09.-10.03.2017.

H. Hasse: Molecular Simulation and Process Simulation (Invited Lecture), ProcessNet Arbeitsausschuss Modellgestützte Prozessentwicklung und –optimierung, Leverkusen, 12.05.2017.

H. Hasse: Systematic Errors in Molecular Simulation: A Round Robin Study (Invited Lecture), Scientific Workshop of the European Materials Modeling Council (EMMC), Uppsala, Sweden, 14.-15.06.2017.

H. Hasse, J. Lenhard: Die Krise der Reproduzierbarkeit in den exakten Wissenschaften. Computersimulationen und die Identität mathematischer Modelle (Invited Lecture), The Science and Art of Simulation, Bad Boll, 02.-03.11.2017.

M. Heier, S. Becker, F. Diewald, M. Kohns, M. Horsch, R. Müller, H. Hasse: Modeling and Simulation of Wetting of Component Surfaces, International Workshop on Molecular Modeling and Simulation, Frankfurt am Main, 09.-10.03.2017.

M. Heier, S. Becker, F. Diewald, M. Kohns, M. Horsch, R. Müller, H. Hasse: Modeling and Simulation of Wetting of Component Surfaces, 29th European Symposium on Applied Thermodynamics, Bucharest, Romania, 18.-21.05.2017.

M. Heier, M. Horsch, H. Hasse: Adsorption of a Fluid on a Planar Solid Wall in Lennard-Jones Systems (Poster), International Workshop on Molecular Modeling and Simulation, Frankfurt am Main, 09.-10.03.2017.

M. Heier, M. Horsch, H. Hasse: Adsorption of a Fluid on a Planar Solid Surface in Lennard-Jones Systems (Poster), Thermodynamik-Kolloquium, Dresden, 27.-29.09.2017.

M. Horsch, M. Becker, M. Heier, J. Singh, G. Jackson, F. Diewald, R. Müller, J. Vrabec, H. Hasse: Tolman's Law and the Adsorption Equation for Nanodispersed Phases, Joint European Thermodynamics Conference, Budapest, Hungary, 21.-25.05.2017.

M. Horsch, K. Langenbach, M. Lautenschläger, H. Hasse: Molecular Simulation and Theory of Homogeneous Cavitation, International Workshop on Molecular Modelling and Simulation, Frankfurt am Main, 09.-10.03.2017.

M. Horsch, K. Langenbach, M. Lautenschläger, H. Hasse: Molecular Dynamics Simulation of Homogeneous Bubble Nucleation, 29th European Symposium on Applied Thermodynamics, Bucharest, Romania, 18.-21.05.2017.

M. Horsch, K. Stöbener, S. Werth, J. Vrabec, H. Hasse: Multicriteria Optimization of Molecular Force Field Models, Ulam Computer Simulation Workshop, Lviv, Ukraine, 21.-24.06.2017.

M. Horsch, J. Vrabec, S. Becker, F. Diewald, M. Heier, G. Jackson, J. Singh, R. Müller, H. Hasse: Reexamination of the Theoretical Basis of Tolman's Law, International Conference on Nucleation and Atmospheric Aerosols, Helsinki, Finland, 25.-30.06.2017.

M. Horsch, S. Werth, K. Stöbener, P. Klein, K. H. Küfer, H. Hasse: Multicriteria Optimization of Force Field Models for Molecular Simulation of Interfacial and Bulk Properties, Indo-German Conference on Modelling, Simulation, and Optimization, Bankura, India, 23.02.2017.

F. Jirasek, J. Burger, H. Hasse: Influence of Electrolytes and pH on the Solubility of 2-Keto-L-gulonic Acid in Aqueous Solutions (Poster), Thermodynamik-Kolloquium, Dresden, 27.-29.09.2017.

F. Jirasek, J. Burger, H. Hasse: Solid-liquid Equilibrium of 2-Keto-L-gulonic acid in Complex Aqueous Electrolyte Solutions (Poster), World Congress of Chemical Engineering, Barcelona, Spain, 01.-05.10.2017.

F. Jirasek, N. Galeotti, J. Burger, H. Hasse: Solubility and Crystal Composition of 2-Keto-L-gulonic Acid Crystallizing from Aqueous Electrolyte Solutions, ProcessNet Jahrestreffen Kristallisation, Köln, 06.-07.03.2017.

A. Keller, J. Burger, H. Hasse: Application of the Pitzer Model to the Evaporation of Sea Salt Solutions, 16ème Congrès de la Société Française de Génie des Procédés, Nancy, France, 11.-13.07.2017.

A. Keller, J. Burger, H. Steinmetz, H. Hasse: Modeling and Simulation of the Recovery of Resources from Complex Aqueous Salt Solutions based on the Extended Pitzer Model (Poster), Thermodynamik-Kolloquium, Dresden, 27.-29.09.2017.

A. Keller, K. Langenbach, H. Hasse: Comparison of Predictions of the PC-SAFT Equation of State and Molecular Simulations for the Metastable Region of Binary Mixtures, Thermodynamics Edinburgh, UK, 05.-08.09.2017.

E. Kessler, L. Ninni Schäfer, B. Willy, R. Schneider, M. Irfan, J. Rolker, E. von Harbou, H. Hasse: Investigation on Carbamate Formation in new Amine Based Solvents for Syngas Purification by Quantitative NMR Spectroscopy (Poster), NMRPM, Kaiserslautern, 19.-20.01.2017.

E. Kessler, L. Ninni Schäfer, B. Willy, R. Schneider, M. Irfan, J. Rolker, E. von Harbou, H. Hasse: Structure-Property-Relationship for Amine Based CO2 Absorption by Quantitative NMR Spectroscopy (Poster), Small Molecule NMR Conference, Baveno, Italy, 17.-20.09.2017.

E. Kessler, L. Ninni Schäfer, B. Willy, R. Schneider, M. Irfan, J. Rolker, E. von Harbou, H. Hasse: Structure-Property-Relationships of Amines for CO2 Absorption (Poster), Thermodynamik-Kolloquium, Dresden, 27.-29.09.2017.

E. Kessler, R. Schneider, M. Irfan, B. Willy, A. Yazdani, D. Vasiliu, L. Ninni Schäfer, J. Rolker, E. von Harbou, H. Hasse: Screening neuer Amine zur energieeffizienten CO2 Absorption aus Synthesegas, ProcessNet Jahrestreffen Fluidverfahrenstechnik, Köln, 08.-10.03.2017.

E. Kessler, R. Schneider, M. Irfan, B. Willy, A. Yazdani, D. Vasiliu, L. Ninni Schäfer, J. Rolker, E. von Harbou, H. Hasse: Screening neuer Amine zur energieeffizienten CO2 Absorption aus Prozessgasen (Poster), ProcessNet Jahrestreffen Gasreinigung, Frankfurt, 21.-22.03.2017.

E. Kessler, R. Schneider, M. Irfan, B. Willy, A. Yazdani, D. Vasiliu, L. Ninni Schäfer, J. Rolker, E. Von Harbou, H. Hasse: Screening New Amines for Energy Efficient Absorption of CO2 from Synthesis Gas, 29th European Symposium on Applied Thermodynamics, Bucharest, Romania, 18.-21.05.2017.

E. Kessler, R. Schneider, M. Irfan, B. Willy, A. Yazdani, D. Vasiliu, L. Ninni Schäfer, J. Rolker, E. von Harbou, H. Hasse: Screening New Amines for Energy Efficient Absorption of CO2 from Synthesis Gas, World Congress of Chemical Engineering, Barcelona, Spain, 01.-05.10.2017.

M. Kohns, M. Horsch, H. Hasse: Molecular Simulation Study of Dielectric Constants of Pure Fluids and Mixtures (Poster), Thermodynamik-Kolloquium, Dresden, 27.-29.09.2017.

M. Kohns, M. Schappals, M. Horsch, H. Hasse: Molecular Simulation of Activities in Electrolyte Solutions, International Workshop on Molecular Modelling and Simulation, Frankfurt, 09.-10.03.2017.

M. Kohns, M. Schappals, M. Horsch, H. Hasse: Molecular Simulation of Activities in Electrolyte Solutions, 29th European Symposium on Applied Thermodynamics, Bucharest, Romania, 18.-21.05.2017.

M. Kohns, M. Schappals, M. Horsch, H. Hasse: Molecular Simulation of Activities in Electrolyte Solutions, Thermodynamics, Edinburgh, UK, 05.-09.09.2017.

K. Langenbach, W. G. Chapman: Co-Oriented Fluid Functional Equation for Electrostatic Interactions: A Functional Equation of State for Molecules with Non-central Dipole on the Basis of an Anisotropic Perturbation Theory, Thermodynamik Kolloquium, Dresden, 27.-29.09.2017.

M. Lautenschläger, S. Stephan, M. T. Horsch, B. Kirsch, J. C. Aurich, H. Hasse: Effects of Lubrication on Friction and Heat Transfer in Machining Processes on the Nanoscale: A Molecular Dynamics Approach, CIRP Conference on Intelligent Computation in Manufacturing Engineering: Cutting, Naples, Italy, 19.-21.07.2017.

K. Münnemann: Hyperpolarization Methods for NMR and MRI Signal Enhancement (Invited Lecture), Max Planck Institute for Biological Cybernetics, Tübingen, 20.10.2017.

K. Münnemann: Hyperpolarization for Medium Field NMR Signal Enhancement (Invited Lecture), Symposium on Quantitative NMR Methods for Reaction and Process Monitoring (NMRPM), Kaiserslautern, 19.-20.01.2017.

K. Münnemann: Hyperpolarization Methods for NMR and MRI Signal Enhancement (Invited Lecture), IPTC Seminar, Goethe University, Frankfurt, 30.01.2017.

K. Münnemann: Schnitte, die nicht weh tun - Kernspinresonanz liefert Bilder aus dem Inneren von Menschen und Materialien (Invited Lecture for Scientific Outreach), Physiker-Zirkel, Kaiserslautern, 27.10.2017.

K. Münnemann: NMR and MRI Sensitivity Enhancement by Parahydrogen Induced Polarization (PHIP) (Invited Lecture), Colloquium Inorganic Chemistry, Analytics, Construction Chemistry, University of Siegen, Siegen, 20.11.2017.

K. Münnemann, S. Ebert, E. von Harbou, H. Hasse: Hyperpolarisation for Medium Field NMR Signal Enhancement (Invited Lecture), NMRPM, Kaiserslautern, 19.-20.01.2017.

J. Neuhaus, A. Klein, A. Hormes, T. Grützner, E. von Harbou, H. Hasse: Physico-chemical Properties and Optimization of Lithium bis(fluorosulfonyl)imide (LiFSI)-based Carbonate Electrolyte Solutions (Poster), Advanced Batterie Power, Aachen, 28.-30.03.2017.

J. Neuhaus, A. Klein, A. Hormes, T. Grützner, E. von Harbou, G. Maurer, H. Hasse: Spectroscopic Investigation and Modelling of Complexation in Organic Electrolyte Solutions: LiFSI - Valeronitrile (Poster), NMRPM, Kaiserslautern, 19.-20.01.2017.

J. Neuhaus, E. Von Harbou, H. Hasse: Novel LiFSI-based Electrolyte Solutions for Lithium Ion Batteries: Physico-chemical Properties and Multi-objective Optimization, Thermodynamik-Kolloquium, Dresden, 27.-29.09.2017.

M. Schappals, A. Mecklenfeld, L. Kröger, V. Botan, A. Köster, S. Stephan, E. Garcia, G. Rutkai, G. Raabe, A. Klein, K. Leonhard, J. Vrabec, H. Hasse: Round Robin Study of Molecular Simulation Programs, International Workshop on Molecular Modelling and Simulation, Frankfurt, 09.-10.03.2017.

M. Schappals, A. Mecklenfeld, L. Kröger, V. Botan, A. Köster, S. Stephan, E. Garcia, G. Rutkai, G. Raabe, A. Klein, K. Leonhard, J. Vrabec, H. Hasse: Round Robin Study of Molecular Simulation Programs, 29th European Symposium on Applied Thermodynamics, Bucharest, Romania, 18.-21.05.2017.

N. Schmitz, J. Burger, E. Ströfer, H. Hasse: Conceptual Design of a Novel Process for the Production of Poly(oxymethylene) Dimethyl Ethers (OME), Jahrestreffen der ProcessNet-Fachgemeinschaft Prozess-, Apparate- und Anlagentechnik, Würzburg, 20.-21.11.2017.

N. Schmitz, E. Ströfer, J. Burger, H. Hasse: From Thermodynamics to Process Design: A Novel Process for the Production of Poly(oxymethylene) Dimethyl Ethers (OME), Thermodynamik Kolloquium, Dresden, 27.-29.09.2017.

N. Schmitz, E. Ströfer, J. Burger, H. Hasse: Development of a Novel Process for the Large-scale Production of OME Fuels from Formaldehyde and Methanol, Dresden, DGMK Conference Petrochemistry and Refining in a Changing Raw Materials Landscape, 09.-11.10.2017.

N. Schmitz, E. Ströfer, J. Burger, H. Hasse: Process Design for the Production of Poly(oxymethylene) Dimethyl Ethers, 16ème Congrès de la Société Française de Génie des Procédés, Nancy, France, 11.-13.07.2017.

S. Stephan, M. Heier, K. Langenbach, H. Hasse: Interfacial Properties of Mixtures of the Lennard-Jones Truncated and Shifted Fluid by Molecular Simulations and a New Equation of State Combined with Density Gradient Theory, Thermodynamics, Edinburgh, UK, 05.-08.09.2017.

S. Stephan, M. Heier, K. Langenbach, H. Hasse: Interfacial Properties of the Lennard-Jones Truncated and Shifted Fluid by Molecular Simulations and a New Equation of State Combined with Density Gradient Theory, 29th European Symposium on Applied Thermodynamics (ESAT), Bucharest, Romania, 18.-21.05.2017.

S. Stephan, M. Heier, K. Langenbach, H. Hasse: Parameterization of an Equation of State for the Lennard-Jones Truncated and Shifted Fluid for the Description of Interfacial Properties by Density Gradient Theory and Comparison with Molecular Simulations (Poster), SAFT conference, Heidelberg, 11.-13.06.2017.

S. Stephan, M. T. Horsch, J. Vrabec, H. Hasse: Molecular Models of the Boltzmann Zuse Society (Poster), Thermodynamik Kolloquium, Dresden, 27.-29.09.2017.

S. Stephan, K. Langenbach: Interfacial Properties of Mixtures of the Lennard-Jones Truncated and Shifted Fluid by Molecular Simulations and Equation of State Combined with Density Gradient Theory, Thermodynamik Kolloquium, Dresden, 27.-29.09.2017.

S. Stephan, K. Langenbach, H. Hasse: Enrichment at Vapor-liquid Interfaces: Comparison between DGT + PeTS & Molecular Simulations, SAFT Workshop, Houston, Texas, USA, 2017.

S. Stephan, K. Langenbach, H. Hasse: Enrichment of Components at Interfaces in Fluid Separations, Tag der Verfahrenstechnik, Kaiserslautern, 16.10.2017.

S. Stephan, M. Lautenschläger, M. T. Horsch, H. Hasse: Effects of Lubrication on the Friction in Nanometric Machining Processes: A Molecular Dynamics Approach, 1st Conference on Physical Modeling for Virtual Manufacturing Systems and Processes, Speyer, 08.06.2017.

S. Stephan, M. Lautenschläger, M. T. Horsch, H. Hasse: Molecular Dynamics Simulation of Nanoscopic Processes: Lubricated Nano-indentation and Couette-flow (Poster), Jahrestreffen der ProcessNet-Fachgruppe - Molekulare Modellierung und Simulation für Prozess- und Produktdesign, Frankfurt, 10.03.2017.

S. Stephan, M. Lautenschläger, M. T. Horsch, H. Hasse: Molecular Dynamics Simulation of Lubricated Contact Processes (Poster), Thermodynamik Kolloquium, Dresden, 27.-29.09.2017.

E. Ströfer, N. Galeotti, M. Frankwalt, J. Burger: Une Réformation des Chaînes de Valeur des Polyisocyanates Aromatiques et Aliphatiques Basées sur les Hydrocarbures Bio-functionnalisés, 16ème Congrès de la Société Française de Génie des Procédés, Nancy, France, 11.-13.07.2017.

E. von Harbou, R. Behrens, E. Kessler, H. Hasse: Quantitative NMR Spectroscopic Study of Highly Diluted Key Components in Complex Reactive Mixtures: Aqueous Amine Solutions Loaded with CO2 (Invited Lecture), Small Molecule NMR Conference, Baveno, Italy, 17.-20.09.2017.

E. Von Harbou, A. Brächer, A. Scheithauer, J. Berje, H. Hasse: Quantitative NMR Spectroscopy as a Tool for Process Development (Invited Lecture), NMRPM, Kaiserslautern, 19.-20.01.2017.

E. von Harbou, A. Brächer, A. Scheithauer, J. Berje, J. Neuhaus, H. Hasse: NMR Spectroscopy as a Tool for Process Development and Optimization (Invited Lecture), PANIC, Hilton Head Island, USA, 20.-23.02.2017.

E. von Harbou, A. Friebel, K. Münnemann, H. Hasse: In-situ Measurement of Physico-Chemical Properties of Liquids by Benchtop Nuclear Magnetic Resonance Spectroscopy, 16ème Congrès de la Société Française de Génie des Procédés, Nancy, France, 12.07.2017.

2016

S. Becker, M. Heier, M. Kohns, M. Horsch, H. Hasse: Contact Angle of Droplets on Nanostructured Surfaces by Molecular Simulation (Poster), Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

R. Behrens, E. von Harbou, G. Sieder, T. Ingram, H. Hasse: Quantitative NMR Measurements in the System MDEA-Water-CO2 (Poster), Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

R. Behrens, E. von Harbou, G. Sieder, T. Ingram, H. Hasse: Bestimmung der Konzentration von molekularem Kohlendioxid in wässrigen Aminlösungen und Auswirkungen auf die Modellierung von Reaktivabsorptionsprozessen, ProcessNet Jahrestagung, Aachen, 12.-15.09.2016.

M. Bortz, J. Burger, E. Forte, E. von Harbou, N. Asprion, H. Hasse: A Pareto-based Approach to Optimal Design of Experiments, ProcessNet Jahrestagung, Aachen, 12.-15.09.2016.

M. Bortz, J. Schwientek, J. Burger, S. Blagov, R. Böttcher, N. Asprion, H. Hasse: What is the Cost of a Robust Process Design? , Jahrestreffen der ProcessNet-Fachgemeinschaft "Prozess-, Apparate- und Anlagentechnik", Bruchsal, 14.-15.11.2016.

J. Burger: Pareto Optimisation and Interactive Decision Support, Imperial College Workshop - Decision support for design of downstream processes, London, UK, 21.11.2016.

J. Burger: Considering Uncertainties in Thermodynamic Property Models, International Workshop “Mathematical methods in process engineering”, Kaiserslautern, 22.-23.09.2016.

J. Burger: Conceptual Process Design Based on Key Property Data – Application of Short-cut Models in Simulation and Optimization, 81th Annual Meeting of the Society of Chemical Engineers Japan, Osaka, Japan, 14.03.2016.

J. Burger, N. Asprion, S. Blagov, M. Bortz, H. Hasse: A Practical Scheme to Consider Uncertain Property Data in Process Simulation, Jahrestreffen der ProcessNet-Fachgemeinschaft Prozess-, Apparate- und Anlagentechnik, Bruchsal, 14.-15.11.2016.

J. Burger, N. Asprion, S. Blagov, M. Bortz, E. von Harbou, H. Hasse: Accounting for Uncertainties of Thermodynamic Data in Modeling and Process Simulation, Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

J. Burger, H. Hasse, M. Härtl, G. Wachtmeister, U. Arnold, J. Sauer: Oxymethylene Dimethyl Ethers (OMEs): Alternative Diesel Fuels for Low-emission Combustion, ProcessNet Jahrestagung, Aachen, 12.-15.09.2016.

F. Diewald, C. Kuhn, M. Heier, S. Becker, S. Werth, M. Horsch, H. Hasse, R. Müller: Simulation of Surface Wetting by Droplets using a Phase Field Model, Joint DMV and GAMM Annual Meeting, Braunschweig, 07.-11.03.2016.

E. Forte, J. Burger, K. Langenbach, M. Bortz, H. Hasse: Multi-criteria Optimization for Parametrization of Equations of State, Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

E. Forte, J. Burger, K. Langenbach, M. Bortz, H. Hasse: Multi-criteria Optimization of Equations-of-state Models using Water and PCP-SAFT as an Example, ProcessNet Jahrestagung, Aachen, 12.-15.09.2016.

E. Forte, J. Burger, K. Langenbach, M. Bortz, H. Hasse: Multi-criteria Optimization of Thermodynamic Models: Describing Water with PCP-SAFT as an Example, AIChE Annual Meeting, San Francisco, USA, 13.-18.112016.

A. Friebel, A. Fröscher, J. Burger, K. Münnemann, E. von Harbou, H. Hasse: Nichtinvasive Untersuchung von Flüssig-flüssig Gleichgewichten im Benchtop-NMR-Spektrometer (Poster), Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

A. Fröscher, K. Langenbach, E. von Harbou, W. Thiel, H. Hasse: Prediction of Liquid-liquid Equilibria in Biobased Systems with the Associating Lattice Cluster Theory, Jahrestreffen der ProcessNet-Fachgruppen Extraktion und Grenzflächenbestimmte Systeme und Prozesse, Weimar, 14.-15.03.2016.

A. Fröscher, K. Langenbach, E. von Harbou, W. Thiel, H. Hasse: Quantitative Vorhersage des Flüssig-flüssig Gleichgewichts in biobasierten Systemen mit der Associating Lattice Cluster Theory, Thermodynamik Kolloquium, Kaiserslautern, 05.-07.2016.

A. Fröscher, K. Langenbach, E. von Harbou, W. Thiel, H. Hasse: Prediction of Liquid-liquid Equilibria in Oligomer-containing Biotechnological Systems using Associating Lattice Cluster Theory (ALCT), AIChE Annual Meeting, San Francisco, CA, USA, 13.-18.11.2016.

N. Galeotti, F. Jirasek, J. Burger, H. Hasse: Studies on the Influence of Sugars on Vapor-liquid Equilibria in Aqueous-organic Systems Water + Acetic Acid + Xylose as an Example (Poster), RCR-Tagung - Ressourceneffiziente Stoffwandlungsketten, Kaiserslautern, 30.09.2016.

N. Galeotti, F. Jirasek, J. Burger, H. Hasse: Studies on the Influence of Sugars on Vapor-liquid Equilibria in Aqueous-organic Systems Water + Acetic Acid + Xylose as an Example (Poster), ProcessNet Jahrestagung, Aachen, 12.-15.09.2016.

N. Galeotti, F. Jirasek, J. Burger, H. Hasse: Studies on the Influence of Sugars on Vapor-liquid Equilibria in Aqueous-organic Systems Water + Acetic Acid + Xylose as an Example (Poster), Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

E. Hackemann, E. Garcia, H. Hasse: Influence of Salts and pH on the Partial Molar Volume of Proteins – An Experimental and Molecular Simulation Study (Poster), Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

E. Hackemann, E. Garcia, H. Hasse: Influence of Mixed Electrolytes and pH on HIC-Adsorption and Partial Molar Volume of Proteins, 35th International Symposium on the Separation of Proteins, Peptides and Polynucleotides, Salzburg, Austria, 06.-09.11.2016.

E. Hackemann, E. Garcia, H. Hasse: Influence of Mixed Electrolytes and pH on HIC-Adsorption and Partial Molar Volume of Proteins, 16th International Symposium on Preparative and Industrial Chromatography and Allied Techniques, Vienna, Austria, 09.-12.10.2016.

E. Hackemann, H. Hasse: Influence of Mixed Electrolytes and pH on Adsorption of Proteins in Hydrophobic Interaction Chromatography, 29th International Symposium on Preparative and Process Chromatography, Philadelphia, USA, 17.-20.07.2016.

M. Härtl, K. Gaukel, D. Pelerin, G. Wachtmeister, J. Burger, W. Maus, E. Jacob: Der Kraftstoff OME2: Ein Beispiel für den Weg zu emissionsneutralen Fahrzeugen mit Verbrennungsmotor, 37. Internationales Wiener Motorensymposium, Vienna, Austria, 28.-29.04.2016.

H. Hasse: Molecular Modeling and Simulation in Engineering (Invited Lecture), Bavarian Graduate School of Computational Engineering, Bernried, 08.04.2016.

H. Hasse: Measuring the Unmeasurable by Molecular Simulations (Invited Lecture), PPEPPD 2016: International Conference on Properties and Phase Equilibria for Product and Process Design, Porto, Portugal, 22.-26.05.2016.

H. Hasse: Molecular Simulations with Force Fileds in Engineering Science (Invited Lecture), Center for Nano Integration Duisburg Essen (CENIDE), Universität Duisburg-Essen, 08.06.2016.

H. Hasse: Pareto Optimization of Thermodynamic Models (Invited Lecture), International Workshop: Mathematical Methods in Process Engineering, Kaiserslautern, 22.-23.09.2016.

H. Hasse, S. Antonyuk, R. Ulber: Bauteiloberflächen – Morphologie auf der Mikroskala (Invited Lecture), ProcessNet Jahrestagung, Aachen, 12.-15.09.2016.

H. Hasse, J. Lenhard: Measuring the Unmeasurable (Invited Lecture), The Science and Art of Simulation, Bad Boll, 04.-05.10.2016.

M. Heier, F. Diewald, S. Becker, M. Horsch, R. Müller, H. Hasse: Modeling and Simulation of Wetting of Component Surfaces (Poster), International Conference on Microscale Morphology of Component Surfaces (MICOS), Kaiserslautern, 20.-21.10.2016.

A. Hoffmann, M. Bortz, J. Burger, H. Hasse, K. H. Küfer: A New Scheme for Process Simulation by Optimization: Distillation as an Example (Poster), The 26th European Symposium on Computer-Aided Process Engineering - ESCAPE 26, Portorož, Slovenia, 12.-15.06.2016.

A. Hoffmann, M. Bortz, R. Welke, J. Burger, K. H. Küfer, H. Hasse: Novel Approach for Simulation and Optimization of Distillation-based Flowsheets using Fixed-point Iterations for Stage-to-stage Calculations, International Workshop: Mathematical Methods in Process Engineering, Kaiserslautern, 22.-23.09.2016.

M. Horsch, P. Gralka, C. Niethammer, N. Tchipev, J. Vrabec, H. Hasse: Scalable, Performant, and Resilient Large-scale Applications of Molecular Process Engineering, SuperMUC Status Workshop, München, 26.-27.04.2016.

M. Horsch, M. Kohns, S. Reiser, H. Hasse: Solvent Activity in Electrolyte Solutions by Molecular Simulation of the Osmotic Pressure, Physics of Liquid Matter: Modern Problems (PLMMP), Kiev, Ukraine, 27.-31.03.2016.

M. Horsch, M. Kohns, S. Reiser, M. Schappals, H. Hasse: Activities in Electrolyte Solutions by Molecular Simulation of the Osmotic Pressure, AIChE Annual Meeting, San Francisco, USA, 13.-18.11.2016.

M. Horsch, K. Langenbach, S. Werth, S. Eckelsbach, J. Vrabec, H. Hasse: Molekulardynamiksimulation der Nukleation von CO2, ProcessNet Jahrestagung, Aachen, 12.-15.09.2016.

M. Horsch, K. Langenbach, S. Werth, C. W. Glass, P. Klein, N. Tchipev, P. Neumann, J. Vrabec, H. Hasse: Skalierbare HPC-Software für molekulare Methoden in der chemischen Industrie, VI. HPC-Statuskonferenz der Gauß-Allianz, Hamburg, 29.11.2016.

M. Horsch, S. Stephan, S. Becker, M. Heier, M. Lautenschläger, F. Diewald, R. Müller, H. Urbassek, H. Hasse: Molecular Synamics Simulation of Nanofluidics and Nanomachining, IEEE International Conference on High Performance Computing, Data, and Analytics, Hyderabad, India, 19.12.2016.

T. Ingram, G. Sieder, E. von Harbou, R. Behrens, H. Hasse: NMR spektroskopische Bestimmung der Konzentration von molekularem Kohlendioxid in wässrigen Aminlösungen und Auswirkungen auf die Modellierung von Reaktivabsorptionsprozessen, Jahrestreffen der ProcessNet-Fachgruppe Fluidverfahrenstechnik, Garmisch-Partenkirchen, 16.-17.03.2016.

F. Jirasek, N. Galeotti, J. Burger, H. Hasse: Solid-liquid Equilibrium in the System 2-Keto-L-gulonic acid + Sodium Hydroxide + Water (Poster), Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

F. Jirasek, N. Galeotti, J. Burger, H. Hasse: Solid-liquid Equilibrium in the System 2-Keto-L-gulonic acid + Sodium Hydroxide + Water (Poster), ProcessNet Jahrestagung, Aachen, 12.-15.09.2016.

F. Jirasek, N. Galeotti, J. Burger, H. Hasse: Solid-liquid Equilibrium in the System 2-Keto-L-gulonic acid + Sodium Hydroxide + Water (Poster), RCR-Tagung - Ressourceneffiziente Stoffwandlungsketten, Kaiserslautern, 30.09.2016.

M. Kaul, J. Burger, H. Hasse: Konzeptioneller Verfahrensentwurf von Extraktions-/ Destillationsprozessen mittels Slope-Curve Methode, Jahrestreffen der ProcessNet-Fachgruppen Extraktion und Grenzflächenbestimmte Systeme und Prozesse, Weimar, 14.-15.03.2016.

M. Kaul, J. Burger, H. Hasse: Konzeptioneller Verfahrensentwurf unter Verwendung von M&T-Apparatemodellen, ProcessNet Jahrestagung, Aachen, 12.-15.09.2016.

M. Kaul, J. Burger, H. Hasse: Konzeptioneller Verfahrensentwurf unter Verwendung von wenigen Stoffdaten mit M&T-Apparatemodellen (Poster), Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

M. Kaul, J. Burger, H. Hasse: Ein hierarchischer Ansatz zum Entwurf von Extraktion-Destillationsprozessen unter Verwendung reduzierter Apparatemodelle (Poster), RCR-Tagung - Ressourceneffiziente Stoffwandlungsketten, Kaiserslautern, 30.09.2016.

A. Keller, E. Forte, K. Langenbach, H. Hasse: Comparison of Predictions of the PC-SAFT Equation of State and Molecular Simulations for the Metastable Region of Binary Mixtures (Poster), Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

E. Kessler, R. Schneider, M. Irfan, B. Willy, A. Yazdani, D. Vasiliu, L. Ninni Schäfer, J. Rolker, E. von Harbou, H. Hasse: Screening neuer Amine zur energieeffizienten CO2 Absorption aus Synthesegas (Poster), Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

M. Kohns, S. Reiser, M. Horsch, H. Hasse: Solvent Activity in Electrolyte Solutions from Molecular Simulation of the Osmotic Pressure (Poster), PPEPPD 2016: International Conference on Properties and Phase Equilibria for Product and Process Design, Porto, Portugal, 22.-26.05.2016.

M. Kohns, S. Reiser, M. Horsch, H. Hasse: Molekulare Simulation von Aktivitäten in Elektrolytlösungen, Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

K. Langenbach, A. Fröscher, E. von Harbou, W. Thiel, H. Hasse: Quantitative Vorhersage des Flüssig-Flüssig Gleichgewichts in biobasierten Systemen mit der Associating Lattice Cluster Theory, Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

K. Langenbach, M. Horsch, M. Heilig, H. Hasse: Homogeneous Bubble Nucleation in Liquid Carbon Dioxide from a Hybrid of Molecular Dynamics Simulation and Density Gradient Theory, AIChe Annual Meeting, San Francisco, USA, 13.-18.11.2016.

K. Langenbach, S. Werth, M. Heilig, G. Haderlein, M. Horsch, H. Hasse: Eigenschaften von Dampf-Flüssigkeits Grenzflächen und deren Auswirkungen auf die Gasblasennukleation, Jahrestreffen der ProcessNet-Fachgruppen Extraktion und Grenflächenbestimmte Systeme und Prozesse, Weimar, 14.-15.03.2016.

K. Langenbach, S. Werth, M. Heilig, G. Haderlein, M. Horsch, H. Hasse: Bubble Nucleation in Industrial Fluids: A Case Study Combining Molecular Simulations and Equations of State + Density Gradient Theory (Poster), PPEPPD, Porto, Portugal, 22.-26.2016.

M. Lautenschläger, S. Stephan, M. Horsch, H. Urbassek, H. Hasse: Molekulardynamik-Simulationen nanoskaliger Prozesse: Spaltströmung und Nanoindentation mit Schmierung (Poster), Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

K. Münnemann: NMR Hyperpolarization: Fighting the Lifetime Issue (Invited Lecture), Meeting der Sektion „Magnetische Resonanz“ der GDCh, Düsseldorf, 12.-15.09.2016.

J. Neuhaus, E. von Harbou, G. Maurer, H. Hasse: Spectroscopic Investigation and Modelling of Complexation in Organic Electrolyte Solutions: LiFSI - Valeronitrile (Poster), Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

M. Schappals, A. Mecklenfeld, L. Kröger, V. Botan, A. Köster, S. Stephan, E. Garcia, G. Rutkai, G. Raabe, P. Klein, K. Leonhard, J. Vrabec, H. Hasse: Round Robin Study of Molecular Simulation Programs, Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

M. Schappals, A. Mecklenfeld, L. Kröger, V. Botan, A. Köster, S. Stephan, E. Garcia, G. Rutkai, G. Raabe, P. Klein, K. Leonhard, J. Vrabec, H. Hasse: Round Robin Study of Molecular Simulation Programs, IEEE International Conference on High Performance Computing, Data, and Analytics, Hyderabad, India, 19.12.2016.

N. Schmitz, J. Burger, H. Hasse: Kinetic Modeling of the Formation of Poly(oxymethylene) Dimethyl Ethers from Formaldehyde and Methanol in Aqueous Solutions (Poster), Jahrestreffen Reaktionstechnik 2016, Würzburg, 02.-04.05.2016.

N. Schmitz, J. Burger, H. Hasse: Kinetic Modeling of the Formation of Poly(oxymethylene) Dimethyl Ethers from Formaldehyde and Methanol in Aqueous Solutions (Poster), RCR-Tagung Ressourceneffiziente Stoffwandlungsketten, Kaiserslautern, 30.09.2016.

N. Schmitz, A. Friebel, E. von Harbou, J. Burger, H. Hasse: Liquid-liquid Equilibrium in Binary and Ternary Mixtures Containing Formaldehyde, Water, Methanol, Methylal, and Poly(oxymethylene) Dimethyl Ethers (Poster), Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

K. Stöbener, P. Klein, M. Horsch, K. H. Küfer, H. Hasse: Development of Molecular Models by Multicriteria Optimization (Poster), Thermodynamik-Kolloquium, Kaiserslautern, 05.-07.10.2016.

E. von Harbou: Bedeutung der Prozessanalytik für die Reaktionstechnik (Invited Lecture), NaWuReT-Summerschool,, Bayreuth, 25.-27.09.2016.

E. von Harbou: Interaction of Reaction and Separation - Challenges in Experiments, Modelling and Simulation (Invited Lecture), 81th Annual Meeting of the Society of Chemical Engineers Japan, Osaka, Japan, 14.03.2016.

E. von Harbou, A. Brächer, R. Behrens, J. Berje, A. Scheithauer, H. Hasse: New Micro-Reactor NMR Probe Head for Reaction and Process Monitoring (Invited Lecture), Dechema Arbeitsausschuss Kinetik und Reaktionsmechanismen, Frankfurt am Main, 11.01.2016.

E. von Harbou, A. Scheithauer, T. Grützner, C. Rijksen, D. Zollinger, H. Hasse: Development of a Process for the Production of Crotonaldehyd from Acetaldehyde, Jahrestreffen Reaktionstechnik, Würzburg, 02.-04.05.2016.

2015

N. Asprion, R. Böttcher, S. Blagov, O. Hirth, M. Bortz, J. Schwientek, K. H. Küfer, J. Burger, E. von Harbou, H. Hasse: Verfahrenssimulation und -optimierung unter Unsicherheiten, Jahrestreffen der ProcessNet-Fachgemeinschaft Prozess-, Apparate- und Anlagentechnik, Bruchsal, 16.-17.11.2015.

S. Becker, M. Horsch, H. Hasse: Wetting, Adsorption and Contact Line Pinning by Molecular Dynamics Simulation, International Workshop on Molecular Modeling and Simulation, Frankfurt, 23.-24.03.2015.

S. Becker, M. Horsch, H. Hasse: Molekulare Modellierung und Simulation der Benetzung von Oberflächen, Thermodynamik-Kolloquium, Bochum, 05.-07.10.2015.

S. Becker, M. Kohns, M. Horsch, H. Hasse: Molecular Modeling and Simulation of Wetting of Solid Surfaces, Thermodynamics, Copenhagen, Denmark, 15.-18.09.2015.

S. Becker, S. Werth, K. Langenbach, M. Horsch, H. Hasse: Grenzflächenspannung im Binärsystem Ethanol + CO2: Modellvorhersagen und experimentelle Validierung (Poster), Thermodynamik-Kolloquium, Bochum, 05.-07.10.2015.

S. Becker, S. Werth, K. Langenbach, M. Horsch, H. Hasse: Experimentelle Bestimmung und molekulare Simulation der Oberflächenspannung in binären Gemischen aus überkritischem Kohlendioxid und organischen Lösungsmitteln (Poster), Thermodynamik Kolloquium, Bochum, 05.-07.10.2015.

R. Behrens, A. Brächer, A. Scheithauer, A. Seidel-Morgenstern, E. von Harbou, H. Hasse: Process and Reaction Monitoring using a Novel Micro-Mixer NMR Probe (Poster), 10th European Congress of Chemical Engineering, Nice, France, 27.09.-01.10.2015.

R. Behrens, A. Brächer, E. von Harbou, H. Hasse: Design and Modeling of a Micro-Mixer NMR Probe (Poster), NMRPM, Kaiserslautern, 15.-16.01.2015.

J. Berje, J. Baldamus, J. Burger, H. Hasse: NMR Spectroscopic Study of Chemical Equilibria and Reaction Kinetics in Complex Reacting Mixtures of Formaldehyde, Water, and Butynediol (Poster), NMRPM, Kaiserslautern, 15.-16.01.2015.

J. Berje, J. Baldamus, J. Burger, H. Hasse: Thermodynamics of Reacting Mixtures Containing Formaldehyde, Water, and Butynediol, 28th European Symposium on Applied Thermodynamics, Athens, Greece, 11.-14.06.2015.

M. Bortz, V. Maag, J. Schwientek, R. Benfer, R. Böttcher, J. Burger, E. von Harbou, N. Asprion, K.-H. Küfer, H. Hasse: Decision Support by Multicriteria Optimization in Process Development: An Integrated Approach for Robust Planning and Design of Plant Experiments, 25th European Symposium on Computer-Aided Process Engineering, Copenhagen, Denmark, 31.05.-04.06.2015.

M. Bortz, J. Schwientek, N. Asprion, O. Hirth, S. Blagov, J. Burger, E. von Harbou, K. H. Küfer, H. Hasse: Minimizing the Impact of Uncertain Model Parameters in Process Design, Jahrestreffen der Fachgemeinschaft Fluiddynamik und Trenntechnik, Bamberg, 09.-11.09.2015.

M. Bortz, J. Schwientek, R. Welke, J. Burger, E. von Harbou, R. Benfer, S. Blagov, R. Böttcher, N. Asprion, K.-H. Küfer, H. Hasse: Sensitivity Analysis and Robust Chemical Process Design, ACHEMA 2015, Frankfurt, 15.-19.06.2015.

A. Brächer, R. Behrens, A. Scheithauer, A. Seidel-Morgenstern, E. von Harbou, H. Hasse: Application of a Novel Online NMR Probe for Monitoring Kinetics in a Complex Industrial Reaction Network and as Detector for Reactive Chromatography (Poster), European Symposium on Chemical Reaction Engineering, Fürstenfeldbruck, 27.-30.10.2015.

A. Brächer, R. Behrens, A. Scheithauer, E. von Harbou, H. Hasse: Multiple Applications of a Fully Thermostatted Online NMR Probe for Reaction and Process Monitoring (Poster), NMRPM, Kaiserslautern, 15.-16.01.2015.

A. Brächer, R. Behrens, A. Scheithauer, E. von Harbou, H. Hasse: Multiple Applications of a Fully Thermostatted Online NMR Probe for Reaction and Process Monitoring (Poster), RCR-Tagung - Ressourceneffiziente Stoffwandlungsketten, Kaiserslautern, 19.02.2015.

A. Brächer, R. Behrens, A. Scheithauer, E. von Harbou, H. Hasse: Multiple Applications of a Fully Thermostatted Online NMR Probe for Reaction and Process Monitoring (Poster), Practical Applications of NMR in Industry, San Diego, USA, 09.-12.02.2015.

J. Burger: Wertschöpfungsketten der Zukunft - Am Beispiel der C1-Chemie, RCR-Tagung - Ressourceneffizente Stoffwandlungsketten, Kaiserslautern, 19.02.2015.

J. Burger, M. Kaul, S. Deublein, F. Ruether, R. Benfer, S. Blagov, G. Foltin, M. Bortz, K. H. Küfer, H. Hasse: Short-cut Models for Conceptual Design of Separation Processes – From Basics to Industrial Practice, Jahrestreffen der Fachgemeinschaft Fluiddynamik und Trenntechnik, Bamberg, 09.-11.09.2015.

A. Fröscher, D. Holland, E. von Harbou, H. Hasse: Investigation of Physico-chemical Properties of a Complex Multi-component System from Bio-based Synthesis using Quantitative NMR Spectroscopy (Poster), NMRPM, Kaiserslautern, 15.-16.01.2015.

A. Fröscher, K. Langenbach, E. von Harbou, C. Kerner, W. Thiel, H. Hasse: Quantitative NMR Spectroscopy for Investigations of Chemical Synthesis of Biobased Materials: Formation of Formyl-oxy-stearic Acid (Poster), Thermodynamik-Kolloquium, Bochum, 05.-07.10.2015.

A. Fröscher, K. Langenbach, E. von Harbou, C. Kerner, W. Thiel, H. Hasse: Quantitative NMR Spectroscopy for Investigations of Chemical Synthesis of Biobased Materials: Formation of Formyl-oxy-stearic Acid (Poster), 10th European Congress of Chemical Engineering, Nice, France, 27.9.-01.10.2015.

A. Fröscher, K. Langenbach, E. von Harbou, W. Thiel, H. Hasse: Quantitative NMR Spectroscopic Study of Chemical Synthesis of Bio-based Materials: Formation of Formyl-oxy-stearic Acid from Oleic Acid, AIChE Annual Meeting, Salt Lake City, UT, USA, 08.-13.11.2015.

E. Hackemann, A. Werner, H. Hasse: Experimental Study and Modeling of the Influence of Mixed Electrolytes on Adsorption of Macromolecules on a Hydrophobic Resin (Poster), 9th HIC/RPC Bioseparation Conference, Sliema, Malta, 16.-19.03.2015.

E. Hackemann, A. Werner, H. Hasse: Temperature Dependence of Adsorption of PEGylated Lysozyme and Pure PEG on a Hydrophobic Resin, 9th HIC/RPC Bioseparation Conference, Sliema, Malta, 16.-19.03.2015.

E. Hackemann, A. Werner, H. Hasse: Influence of Mixed Electrolytes on Adsorption of Proteins in Hydrophobic Interaction Chromatography, 3rd European Congress of Applied Biotechnology, Nice, France, 27.09.-01.10.2015.

E. Hackemann, A. Werner, H. Hasse: Temperature Dependence of Adsorption of PEGylated Lysozyme and pure PEG on a Hydrophobic Resin, Thermodynamik-Kolloquium, Bochum, 05.-07.10.2015.

E. Hackemann, A. Werner, H. Hasse: Influence of Mixed Electrolytes and pH on Adsorption of Proteins in Hydrophobic Interaction Chromatography (Poster), Thermodynamik-Kolloquium, Bochum, 05.-07.10.2015.

H. Hasse: Molecular Modeling and Simulation with Force Fields. From Academic Research to Industrial Applications (Invited lecture), MedeA User's Group Meeting, Heidelberg, 08.-10.09.2015.

H. Hasse: Eine kurze Betrachtung der Thermodynamik. Energie und Entropie an der Schnittstelle von Wissensgebieten (Invited lecture), Akademie der Wissenschaften und Literatur, Mainz, 11.11.2015.

H. Hasse, J. Lenhard: Measuring the Unmeasurable. Engineering, Mathematics, and the Computer: A New Mixture, 5th Conference of the European Philosophy of Science Association, Düsseldorf, 23.-26.09.2015.

A. Hoffmann, M. Bortz, J. Burger, K. H. Küfer, H. Hasse: Robuste Simulation und gleichzeitige Optimierung von Fließbildern mittels Schießverfahren. Chemie Ingenieur Technik 2015, 87 (8), 1059-1059.

A. Hoffmann, M. Bortz, J. Burger, K. H. Küfer, H. Hasse: Robuste Simulation und gleichzeitige Optimierung von Fließbildern mittels Schießverfahren, Jahrestreffen der Fachgemeinschaft Fluiddynamik und Trenntechnik, Bamberg, 09.-11.09.2015.

A. Hoffmann, M. Bortz, J. Burger, K. H. Küfer, H. Hasse: Robuste Simulation und gleichzeitige Optimierung von Fließbildern mittels Schießverfahren, Jahrestreffen der Fachgemeinschaft Prozess-, Apparate- und Anlagentechnik, Bruchsal, 16.-17.11.2015.

M. Horsch, K. Langenbach, M. Bernreuther, C. W. Glass, W. Eckhardt, P. Neumann, H.-J. Bungartz, S. Eckelsbach, J. Vrabec, H. Hasse: Scale-bridging Massively-parallel Molecular Simulation with ls1 Mardyn, 8th International Congress on Industrial and Applied Mathematics, Beijing, China, 10.-14.08.2015.

M. Horsch, K. Langenbach, K. Stöbener, S. Werth, Z. Lin, T. Windmann, J. Vrabec, H. Hasse: Homogeneous Nucleation of Carbon Dioxide by Molecular Simulation, 19th International Symposium on Thermophysical Properties, Boulder, Colorado, USA, 21.-26.06.2015.

M. Horsch, R. Srivastava, S. Werth, C. Niethammer, C. W. Glass, W. Eckhardt, A. Heinecke, N. Tchipev, H.-J. Bungartz, S. Eckelsbach, J. Vrabec, H. Hasse: Large-scale MD Simulation of Heterogeneous Systems with ls1 Mardyn, International Workshop on Molecular Modeling and Simulation, Frankfurt, 23.-24.03.2015.

M. Horsch, K. Stöbener, S. Werth, H. Hasse: Multicriteria Optimization of Molecular Force Field Models, International NTZ Workshop on New Developments in Computational Physis, Leipzig, 26.-28.11.2015.

F. Jirasek, J. Burger, E. von Harbou, H. Hasse: EU HORIZON 2020 Project: Processing Diluted Aqueous Systems“ (PRODIAS) (Poster), RCR-Tagung - Ressourceneffiziente Stoffwandlungsketten, Kaiserslautern, 19.02.2015.

M. Kaul, J. Burger, H. Hasse: Method for Determining the Limiting Achievable Product Compositions in Counter-current Extraction Columns (Poster), RCR-Tagung - Ressourceneffiziente Stoffwandlungsketten, Kaiserslautern, 19.02.2015.

M. Kohns, S. Reiser, M. Horsch, H. Hasse: Molecular Simulation of Organic Electrolyte Solutions, AIChE Annual Meeting, Salt Lake City, UT, USA, 08.-13.11.2015.

M. Kohns, E. von Harbou, M. Horsch, H. Hasse: Molecular Modelling of Nitrous Oxide and its Application in the CO2-N2O Analogy (Poster), International Workshop on Molecular Modeling and Simulation, Frankfurt, 23.-24.03.2015.

M. Kohns, E. von Harbou, M. Horsch, H. Hasse: Molecular Simulation Study of the CO2-N2O Analogy, 28th European Symposium on Applied Thermodynamics, Athens, Greece, 11.-14.06.2015.

M. Kohns, E. von Harbou, M. Horsch, H. Hasse: Molecular Simulation Study of the CO2-N2O Analogy (Poster), Thermodynamics, Copenhagen, Denmark, 15.-18.09.2015.

M. Kohns, E. von Harbou, M. Horsch, H. Hasse: Molecular Simulation Study of the CO2-N2O Analogy (Poster), Thermodynamik-Kolloquium, Bochum 05.-07.10.2015.

K. Langenbach, S. Werth, M. Heilig, G. Haderlein, M. Horsch, H. Hasse: Molekulare Modellierung und Simulation des Systems Kohlendioxid + Chlorwasserstoff + Toluol: vom VLE zur Gasblasennukleation, Thermodynamik-Kolloquium, Bochum, 05.-07.10.2015.

K. Langenbach, S. Werth, M. Horsch, H. Hasse: Vapor-liquid Interfaces: Enrichment Effects and Local Structure, 28th European Symposium on Applied Thermodynamics, Athens, Greece, 11.-14.06.2015.

K. Langenbach, S. Werth, M. Horsch, H. Hasse: Investigation of the Vapor-liquid Interface with Density Gradient Theory + PC-SAFT and with Molecular Simulation, SAFT 2015 Conference, Houston, Texas, USA, 17.-19.05.2015.

S. Reiser, M. Kohns, M. Horsch, H. Hasse: Molecular Simulation of Organic Electrolyte Solutions International Workshop on Molecular Modeling and Simulation, Frankfurt, 23.-24.03.2015.

M. Schappals, T. Breug-Nissen, K. Langenbach, M. Horsch, J. Burger, H. Hasse: Solubility of Carbon Dioxide in Poly(oxymethylene) Dimethyl Ethers - Experiments and Thermodynamic Modeling (Poster), Thermodynamik-Kolloquium, Bochum, 05.-07.10.2015.

M. Schappals, T. Breug-Nissen, K. Langenbach, M. Horsch, J. Burger, H. Hasse: Solubility of Carbon Dioxide in Poly(oxymethylene) Dimethyl Ethers - Experiments and Thermodynamic Modeling (Poster), RCR-Tagung - Ressourceneffiziente Stoffwandlungsketten, Kaiserslautern, 19.02.2015.

M. Schappals, S. Deublein, E. Elts, C. W. Glass, G. Guevara-Carrión, S. Reiser, H.-J. Bungartz, M. Horsch, J. Vrabec, H. Hasse: ms2: Open Source Code for Molecular Simulation of Thermodynamic Properties of Fluids (Poster), International Workshop on Molecular Modeling and Simulation, Frankfurt, 23.-24.03.2015.

N. Schmitz, J. Burger, H. Hasse: Reaction Kinetics of the Formation of Poly(oxymethylene) Dimethyl Ethers from Formaldehyde and Methanol in Aqueous Solutions, AIChE Annual Meeting, Salt Lake City, UT, USA, 08.-13.11.2015.

N. Schmitz, F. Homberg, J. Burger, H. Hasse: Chemisches Gleichgewicht der Synthese von Poly(oxymethylen)dimethylethern aus Formaldehyd und Methanol in wässrigen Lösungen (Poster), RCR-Tagung - Ressourceneffiziente Stoffwandlungsketten, Kaiserslautern, 19.02.2015.

K. Stöbener, P. Klein, M. Horsch, K. H. Küfer, H. Hasse: Sandwiching and Hyperboxing Algorithm for Multicriteria Optimization of Molecular Models (Poster), Thermodynamik-Kolloquium, Bochum, 05.-07.10.2015.

D. Vasiliu, A. Yazdani, M. Irfan, R. Schneider, N. McCann, G. Maurer, E. von Harbou, H. Hasse: Thermodynamic Studies of Butyl-Triacetonediamine + Water as Solvent for Carbon Capture, 28th European Symposium on Applied Thermodynamics, Athens, Greece, 11.-14.06.2015.

E. von Harbou, A. Brächer, R. Behrens, A. Scheithauer, H. Hasse: Quantitative Studies of Fast Reactions with a Novel Thermostatted Micro-Reactor NMR Probe Head (Invited lecture), Practical Applications of NMR in Industry, San Diego, USA, 09.-12.02.2015.

E. von Harbou, H. Hasse: Continuous Chemical Production from a Chemical Engineer's Standpoint (Invited lecture), Seminar on Continuous Production, Chalmers University of Technology, Gothenburg, Sweden, 24.02.2015.

E. von Harbou, M. Imle, L. Brachert, K. Schaber, H. Hasse: Supersaturation and Solvent Losses in Reactive Absoprtion Columns, 10th European Congress of Chemical Engineering, Nice, France, 27.09.-01.10.2015.

S. Werth, K. Langenbach, M. Horsch, H. Hasse: Prediction of Interfacial Properties of Industrially Relevant Fluid Mixtures by Molecular Simulation and Density Gradient Theory + PC-Saft, International Workshop on Molecular Modeling and Simulation, Frankfurt, 23.-24.03.2015.

S. Werth, K. Langenbach, M. Horsch, H. Hasse: Prediction of Interfacial Properties of Industrially Relevant Fluids by Molecular Simulation, 28th European Symposium on Applied Thermodynamics, Athens, Greece, 11.-14.06.2015.

S. Werth, K. Langenbach, M. Horsch, H. Hasse: Vorhersage von Grenzflächeneigenschaften industriell relevanter Mischungen durch molekulare Simulation und Dichtegradiententheorie mit PC-SAFT, Jahrestreffen der Fachgemeinschaft Fluiddynamik und Trenntechnik, Bamberg, 09.-11.09.2015.

S. Werth, K. Langenbach, M. Horsch, H. Hasse: Prediction of Interfacial Properties of Industrially Relevant Fluids by Molecular Simulation and Density Gradient Theory + PC-SAFT, Thermodynamics, Copenhagen, Denmark, 15.-18.09.2015.

S. Werth, K. Stöbener, P. Klein, M. Horsch, K. H. Küfer, H. Hasse: Molecular Modelling of Interfacial Properties by Multi-criteria Optimization, Thermodynamics, Copenhagen, Denmark, 15.-18.09.2015.

S. Werth, K. Stöbener, K. Langenbach, M. Horsch, H. Hasse: Surface Tension of Pure Components and Mixtures by Molecular Simulation (Poster), International Workshop on Molecular Modeling and Simulation, Frankfurt, 23.-24.03.2015.

2014

N. Asprion, R. Benfer, S. Blagov, R. Böttcher, M. Bortz, R. Welke, J. Burger, E. von Harbou, K.-H. Küfer, H. Hasse: INES – Interface between Experiments and Simulation, 24th European Symposium on Computer Aided Process Engineering, Budapest, Hungary, 15.-18.06.2014.

S. Becker, M. Horsch, H. Hasse: Molecular Modeling and Simulation of Wetting of Solid Surfaces, AIChE Annual Meeting, Atlanta, USA, 16.-21.11.2014.

S. Becker, M. Kohns, M. Horsch, H. Hasse: Wettability of Rough Solid Surfaces: A Molecular Simulation Study (Poster), 555. WE-Heraeus-Seminar "Wetting of Structures with Complex Geometries", Physikzentrum Bad Honnef, 16.-19.03.2014.

J. Berje, J. Baldamus, J. Burger, H. Hasse: Thermodynamische Modellierung und Analyse der destillativen Trennung von reagierenden Mischungen aus Formaldehyd, Wasser und mehrwertigen Alkoholen, Thermodynamik-Kolloquium, Stuttgart, 22.-24.09.2014.

A. Brächer, R. Behrens, A. Scheithauer, E. von Harbou, H. Hasse: Process and Reaction Monitoring using a Novel Micro-Mixer NMR Probe (Poster), 10. Kolloquium des Arbeitskreises Prozessanalytik, Gerlingen, 25.-26.11.2014.

A. Brächer, E. von Harbou, H. Hasse: Coupling Online NMR Spectroscopy with Micro-Reaction Technology: A New Way for Quantitative Studies of Fast Reaction Kinetics in Technical Systems, Interdisziplinäres Doktorandenseminar Prozessanalytik, Berlin, 23.-25.02.2014.

J. Burger, M. Kaul, H. Hasse: Slope Curve Method for the Conceptual Design of Counter-current Extraction Columns, Jahrestreffen der Fachgemeinschaft Prozess-, Apparate- und Anlagetechnik, Lüneburg, 17.-18.11.2014.

J. Burger, V. Papaioannou, A. Galindo, G. Jackson, C. S. Adjiman: Integrated Process and Solvent Design of Physical CO2 Absorption Using the SAFT-Mie Equation of State, Jahrestreffen Fachgruppen Extraktion und Fluid-VT, Fulda, 27.-28.03.2014.

J. M. Castillo Sánchez, M. Klos, K. Jacobs, M. Horsch, H. Hasse: Characterization of Alkylsilane Self-Assembling Monolayers by Molecular Simulation (Poster), Thermodynamik-Kolloquium, Stuttgart, 22.-24.09.2014.

A. Fröscher, J. M. Castillo Sánchez, H. Hasse: Thermodynamische Grundlagen der Produktion von Biopolymeren aus Ölsäure (Poster), Thermodynamik-Kolloquium, Stuttgart, 22.-24.09.2014.

E. Hackemann, A. Werner, H. Hasse: Temperature Dependence of Adsorption of PEGylated Lysozyme on a Hydrophobic Resin, 34th International Symposium on the Separation of Proteins, Peptides and Polynucleotide, Würzburg, 05.-07.11.2014.

E. Hackemann, A. Werner, H. Hasse: Temperature Dependence of Adsorption of PEGylated Lysozyme on a Hydrophobic Resin (Poster), Thermodynamik-Kolloquium, Stuttgart, 22.-24.09.2014.

H. Hasse: Molecular Dynamics Simulations in Engineering (Invited lecture), 4th European Seminar on Computing, Pilsen, Czech Republic, 15.-20.06.2014.

H. Hasse: Carbon Capture: From Phyisco-chemical Fundamentals to Industrial Applications and EU Policy (Invited lecture), Academic-Industrial Meeting, Evonik, Essen, 11.09.2014.

H. Hasse: Thermodynamik Bottom up und Top down (Eingeladener Vortrag), Festkolloquium der Ernest Solvay Stiftung anlässlich der Verleihung des Ernest Solvay Preises, Hannover, 04.12.2014.

H. Hasse, J. Burger, M. Bortz, K.-H. Küfer, N. Asprion: Multi-Objective Optimization in Chemical Process Development (Invited lecture), ProcessNet Arbeitsausschuss Modellgestützte Prozessentwicklung und –optimierung, Hanau-Wolfgang, 27.05.2014.

H. Hasse, M. Heilig: Modellierung und Simulation experimentell nicht untersuchbarer Phänomene mit molekularen Methoden (Invited tandem lecture), ProcessNet Jahrestagung, Aachen, 30.09.-02.10.2014.

M. Horsch, S. Becker, M. Kohns, S. Werth, H. Hasse: Molecular Modelling and Simulation of Adsorption and Wetting of Structured Surfaces, CCP5 Annual Meeting, Telford, Great Britain, 10.09.2014.

M. Horsch, W. Eckhardt, C. W. Glass, C. Niethammer, G. Rutkai, J. Vrabec, H. Hasse: Computational Molecular Engineering by Massively-Parallel Molecular Simulation, CECAM Workshop, STFC Daresbury Laboratory, Great Britain, 11.09.2014.

M. Horsch, S. V. Lishchuk, S. Werth, H. Hasse: Molecular Simulation of Nano-Dispersed Fluid Phases, International Conference on Thermophysical and Mechanical Properties of Advanced Materials, Çeşme, Turkey, 14.06.2014.

M. Imle, N. McCann, J. Kumelan, D. Speyer, G. Maurer, H. Hasse: Simulation der Reaktivabsorption von Kohlendioxid in aktivierten Pottasche-Lösungen basierend auf neuen physikalisch-chemischen Stoffdaten, Jahrestreffen der Fachgruppen Extraktion und Fluidverfahrenstechnik, Fulda, 27.-28.03.2014.

M. Imle, N. McCann, J. Kumelan, D. Speyer, G. Maurer, H. Hasse: Simulation of Reactive Absorption of Carbon Dioxide in Activated Aqueous Potash Solutions Based on New Physico-Chemical Data (Poster), 10th International Conference on Distillation & Absorption, Friedrichshafen, 14.-17.09.2014.

M. Imle, E. von Harbou, L. Brachert, K. Schaber, H. Hasse: Supersaturation and Solvent Losses in Reactive Absorption Columns, ProcessNet Jahrestagung, Aachen, 30.09.-02.10.2014.

M. Imle, E. von Harbou, L. Brachert, K. Schaber, H. Hasse: Supersaturation and Solvent Losses in Reactive Absorption Columns (Poster), 10th International Conference on Distillation & Absorption, Friedrichshafen, 14.-17.09.2014.

M. Kaul, J. Burger, H. Hasse: Methode zur Bestimmung der maximal erreichbaren Produktzusammensetzungen in Gegenstrom-Extraktionskolonnen, Jahrestreffen Fachgruppen Extraktion und Fluid-VT, Fulda, 27.-28.03.2014.

M. Kaul, J. Burger, H. Hasse: Thermodynamische Grenzen der Produktzusammensetzungen von Gegenstromextraktionskolonnen (Poster), Thermodynamik-Kolloquium, Stuttgart, 22.-24.09.2014.

M. Kaul, J. Burger, H. Hasse: Methode zur Bestimmung der maximal erreichbaren Produktzusammensetzungen in Extraktionskolonnen, ProcessNet-Jahrestagung, Aachen, 30.09.-02.10.2014.

M. Kaul, J. Burger, H. Hasse: Methode zur Bestimmung der maximal erreichbaren Produktzusammensetzungen in Extraktionskolonnen, Jahrestreffen der Fachgruppen Extraktion und Fluidverfahrenstechnik, Fulda, 27.-28.03.2014.

M. Kohns, M. Horsch, H. Hasse: Molecular Modelling of Nitrous Oxide and its Application in the CO2-N2O Analogy (Poster), Thermodynamik-Kolloquium, Stuttgart, 22.-24.09.2014.

K. Langenbach, M. Horsch, S. Werth, H. Hasse: Interfacial Density Profiles of Real Fluids from Density Gradient Theory Coupled with PC-SAFT and from Molecular Simulation, ICCT/SAIChE, Durban, South Africa, 27.07.-01.08.2014.

K. Langenbach, M. Horsch, S. Werth, H. Hasse: Dichteprofile in Grenzschichten realer fluider Mischungen aus Dichtegradiententheorie + PC-SAFT und Molekularen Simulationen, Thermodynamik-Kolloquium, Stuttgart, 22.-24.09.2014.

K. Langenbach, S. Werth, M. Horsch, H. Hasse: Prediction of Interfacial Properties of Real Fluids by DGT + PC-SAFT and Comparison with Molecular Simulation SAFT, Tróia, Portugal, 22.-24.04.2014.

K. Langenbach, S. Werth, M. Horsch, H. Hasse: Enrichment of Light Components at Gas-Liquid Interfaces by Density Gradient Theory and Molecular Simulation, Distillation and Absorption, Friedrichshafen, 14.-17.09.2014.

F. Petlyuk, R. Danilov, J. Burger: The Method of Infinitely Sharp Splits – A Novel Method for the Search and Identification of Possible Splits of Extractive Distillation (Poster), Distillation & Absorption, Friedrichshafen, 14.-17.09.2014.

S. Reiser, M. Horsch, H. Hasse: Experimental Study and Molecular Simulation of Thermodynamic Properties of Organic Electrolyte Solutions, 27th European Symposium on Applied Thermodynamics, Eindhoven, The Netherlands, 06.-09.07.2014.

S. Reiser, M. Horsch, H. Hasse: Experimentelle Untersuchung und Molekulare Simulation Thermodynamischer Eigenschaften von Organischen Elektrolytlösungen, Thermodynamik-Kolloquium, Stuttgart, 22.-24.09.2014.

M. Schappals, S. Deublein, E. Elts, C. W. Glass, G. Guevara-Carrión, S. Reiser, H.-J. Bungartz, M. Horsch, J. Vrabec, H. Hasse: ms2: Open Source Code for Molecular Simulation of Thermodynamic Properties of Fluids (Poster), Thermodynamik-Kolloquium, Stuttgart, 22.-24.09.2014.

A. Scheithauer, T. Grützner, C. Rijksen, D. Zollinger, H. Hasse: Entwicklung eines Verfahrens zur Herstellung von Crotonaldehyd aus Acetaldehyd, Jahrestreffen der Fachgruppen Extraktion und Fluidverfahrenstechnik, Fulda, 27.-28-03.2014.

K. Stöbener, S. Werth, M. Horsch, K.-H. Küfer, H. Hasse: Parameterization of Two-Center Lennard-Jones Plus Pointquadrupole Force Field Models by Multicriteria Optimization (Poster), Thermodynamik-Kolloquium, Stuttgart, 22.-24.09.2014.

D. Vasiliu, A. Yazdani, M. Irfan, R. Schneider, N. McCann, G. Maurer, E. von Harbou, H. Hasse: Thermodynamic Study of a Complex System for Carbon Capture: Butyltriacetonediamine / Water / Carbon Dioxide, Thermodynamik-Kolloquium, Stuttgart, 22.-24.09.2014.

E. von Harbou, H. Hasse: Morphological Analysis and Optimisation of Heterogeneously Catalysed Reactive Distillation of Complex Chemical Systems, 2nd World Congress on Petrochemistry and Chemical Engineering, Las Vegas, USA, 27.-29.10.2014.

E. von Harbou, H. Hasse: Morphological Analysis and Optimisation of Heterogeneously Catalysed Reactive Distillation of Complex Chemical Systems, 9th International Symposium on Catalysis in Multiphase Reactors, Lyon, France, 08.-10.12.2014.

E. von Harbou, M. Imle, L. Brachert, K. Schaber, H. Hasse: Investigation of Supersaturation in Reactive Absorption Columns, Thermodynamik-Kolloquium, Stuttgart, 22.-24.09.2014.

A. Werner, E. Hackemann, H. Hasse: Experimental Study and Modeling of Influence of Mixed Electrolytes on Adsorption of Proteins, 10th European Symposium on Biochemical Engineering Sciences, Lille, France, 09.09.2014.

S. Werth, K. Langenbach, M. Horsch, H. Hasse: Prediction of Interfacial Properties of Industrially Relevant Fluids by Molecular Simulation, InPROMPT, Berlin, 30.-31.10.2014.

S. Werth, K. Stöbener, M. Horsch, H. Hasse: Berechnung der Oberflächenspannung mittels Molekularer Simulation: Vorhersage und Optimierung (Poster), Thermodynamik-Kolloquium, Stuttgart, 22.-24.09.2014.

S. Werth, K. Stöbener, K. Langenbach, M. Horsch, H. Hasse: Surface Tension of Pure Components and Mixtures by Molecular Simulation, 27th European Symposium on Applied Thermodynamics (ESAT), Eindhoven, The Netherlands, 06.-09.07.2014.

S. Werth, K. Stöbener, K. Langenbach, M. Horsch, H. Hasse: Surface Tension of Pure Components and Mixtures by Molecular Simulation, AIChE Annual Meeting, Atlanta, USA, 16.-21.11.2014.

2013

S. Becker, M. Horsch, H. Hasse: Wettability of Solid Surfaces: a Molecular Simulation Study (Poster), International Workshop Molecular Modeling and Simulation: Natural Science meets Engineering, Frankfurt/Main, 11.-12.03.2013.

S. Becker, M. Horsch, H. Hasse: Wettability of Solid Surfaces: a Molecular Simulation Study (Poster), Thermodynamics 2013, Manchester, Great Britain, 03.-06.09.2013.

S. Becker, M. Kohns, M. Horsch, H. Hasse: Wettability of Rough Solid Surfaces: a Molecular Simulation Study (Poster), Thermodynamik-Kolloquium, Hamburg, 07.-09.10.2013.

M. Bortz, R. Welke, J. Burger, A. Scheithauer, S. Blagov, A. Dittel, N. Asprion, K.-H. Küfer, H. Hasse: Hierarchical Modeling, Simulation and Optimization of Distillation Processes, Jahrestreffen der Fachgruppen Fluidverfahrenstechnik und Wärme- und Stoffübertragung, Baden-Baden, 20.-21.03.2013.

M. Bortz, R. Welke, J. Burger, A. Scheithauer, S. Blagov, A. Dittel, N. Asprion, K.-H. Küfer, H. Hasse: Hierarchische Modellierung, Simulation und Optimierung von Destillationsprozessen, Jahrestreffen der Fachgemeinschaft Prozess-, Apparate- und Anlagetechnik, Bruchsal, 18.-19.11.2013.

M. Bortz, R. Welke, J. Burger, A. Scheithauer, S. Blagov, A. Dittel, O. Ryll, N. Asprion, K.-H. Küfer, H. Hasse: Hierarchical Modeling, Simulation and Optimization of Distillation Processes, Jahrestreffen der Fachgemeinschaft Fluiddynamik und Trenntechnik, Würzburg, 25.-27.09.2013.

A. Brächer, E. von Harbou, H. Hasse: Coupling Online NMR Spectroscopy with Micro-Reaction Technology: A New Way for Quantitative Studies of Fast Reaction Kinetics in Technical Systems, AIChE Annual Meeting, San Francisco, USA, 03.-08.11.2013.

J. Burger, H. Hasse: Hierarchical Process Design Using Multi-Objective Optimization and Varying Model Depth - Method and Examples, Jahrestreffen der Fachgemeinschaft Prozess-, Apparate- und Anlagetechnik, Bruchsal, 18.-19.11.2013.

J. Burger, V. Papaioannou, A. Galindo, G. Jackson, C. S. Adjiman: Integrated Process and Solvent Design of Physical CO2 Absorption Using the SAFT-Mie Equation of State, AIChE Annual Meeting, 02.-09.11.2013.

J. Burger, V. Papaioannou, A. Galindo, G. Jackson, C. S. Adjiman: Integrated Process and Solvent Design of Physical CO2 Absorption Using the SAFT-Mie Equation of State, Thermodynamik Kolloquium, Hamburg, 07.-09.10.2013.

S. Deublein, B. Eckl, J. Stoll, S. V. Lishchuk, G. Guevara-Carrión, C. W. Glass, S. Reiser, T. Merker, T. Windmann, M. Bernreuther, M. Horsch, H. Hasse, J. Vrabec: ms2: Open Source Code for Molecular Simulation of Thermodynamic Properties of Fluids (Poster), International Workshop Molecular Modeling and Simulation: Natural Science meets Engineering, Frankfurt, 11.-12.03.2013.

H. Hasse: Mathematik in den Ingenieurwissenschaften (Invited lecture), Werkstattgespräch Ingenieurwissenschaften, Mathematics as a Tool, Zentrum für Interdisziplinäre Forschung, Universität Bielefeld, 04.07.2013.

H. Hasse: Molecular Modeling and Simulation of Fluid Systems (Invited lecture), 3rd Summer School of the International Max Planck Research School (IMPRS) Magdeburg on Multiscale Modeling and Simulation, Magdeburg, 02.-06.09.2013.

H. Hasse: EASAC Study on Carbon Capture and Storage in Europe, Jahrestreffen der Fachgemeinschaft Fluiddynamik und Trenntechnik, Würzburg, 25.-27.09.2013.

H. Hasse, M. Horsch: Molecular Simulations with Force Field Methods in Chemical Engineering (Invited lecture), Kolloquium Bio- und Chemieingenieurwissenschaften, Dortmund, 26.04.2013.

F. Homberg, A. Brächer, J. Burger, H. Hasse: Untersuchungen der chemischen Gleichgewichte bei der Synthese von Oxymethylendimethylethern (OME) aus Formaldehyd + Wasser + Methanol (Poster), Thermodynamik-Kolloquium, Hamburg, 07.-09.10.2013.

M. Horsch, S. Becker, J. M. Castillo Sánchez, S. Deublein, A. Fröscher, S. Reiser, S. Werth, J. Vrabec, H. Hasse: Molecular Modelling and Simulation of Electrolyte Solutions, Biomolecules, and Wetting of Component Surfaces, High Performance Computing in Science and Engineering 2013, XVI. Results and Review Workshop, HLRS, Stuttgart, 30.09.2013.

M. Horsch, S. Becker, M. Kohns, S. Werth, H. Hasse: Molekulare Simulation von realen Fluiden an Phasengrenzflächen, Jahrestreffen der ProcessNet-Fachgemeinschaft für Fluiddynamik und Trenntechnik (FDTT), Würzburg, 27.09.2013.

M. Horsch, A. Celik, H. Hasse: Molecular Modelling and Simulation of Hydrogen Bonding Fluids, II. International Symposium on Thermophysical Properties for Technical Thermodynamics, Rostock, 27.03.2013.

M. Horsch, H. Hasse: Molecular Modeling and Simulation of Fluids in Chemical Engineering (Invited lecture), Seminar Institut für Mikrotechnik, Mainz, 28.02.2013.

M. Horsch, S. Werth, S. V. Lishchuk, J. Vrabec, H. Hasse: Molecular Simulation of Curved Vapour-Liquid Interfaces, Thermodynamics 2013, Manchester, Great Britain, 03.-06.09.2013.

M. Horsch, S. Werth, J. Vrabec, H. Hasse: Molecular Simulation of Curved Interfaces, International Workshop Molecular Modeling and Simulation: Natural Science meets Engineering, Frankfurt, 11.-12.03.2013.

M. T. Horsch, S. Becker, M. Kohns, X. Rozanska, S. Werth, H. Hasse: Molecular Modelling of Adsorption on Real Component Surfaces, MedeA Users Group Meeting, Wien, Österreich, 19.09.2013.

C.-M. Hsieh, T. Merker, S.-T. Lin, H. Hasse, J. Vrabec: Fluid Phase Coexistence for the Oxidation of Cyclohexane in CO2 expanded liquids: COSMO SAC vs. Molecular Simulation, International Workshop Molecular Modeling and Simulation: Natural Science meets Engineering, Frankfurt, 11.-12.03.2013.

M. Imle, N. McCann, J. Kumelan, D. Speyer, G. Maurer, H. Hasse: Physikalisch-chemische Modellierung und Simulation der Reaktivabsorption von Kohlendioxid in aktivierten Pottasche Lösungen, Thermodynamik-Kolloquium, Hamburg, 07.-09.10.2013.

M. Imle, N. McCann, J. Kumelan, D. Speyer, G. Maurer, H. Hasse: Experimentelle Ergebnisse und physikalisch-chemische Modellierung der Reaktivabsorption von CO2 in aktivierten Pottaschelösungen (Poster), Jahrestreffen der Fachgemeinschaft Fluiddynamik und Trenntechnik, Würzburg, 25.-27.09.2013.

M. Imle, N. McCann, J. Kumelan, D. Speyer, G. Maurer, H. Hasse: Physico-chemical Modeling and Simulation of Reactive Absorption of Carbon Dioxide in Activated Potash Solutions, AIChE Annual Meeting, San Francisco, USA, 03.-08.11.2013.

M. Imle, N. McCann, J. Kumelan, D. Speyer, G. Maurer, H. Hasse: Physikalisch-chemische Modellierung und Simulation der Reaktivabsorption von Kohlendioxid in aktivierten Pottaschelösungen (Poster), Jahrestreffen der Fachgemeinschaft Prozess-, Apparate- und Anlagentechnik, Bruchsal, 18.-19.11.2013.

M. Imle, I. von Harbou, G. Maurer, H. Hasse: Carbon Dioxide Capture by Reactive Absorption – Modeling and Simulation Using a Rate-Based Model (Invited lecture), 246th ACS National Meeting, Indianapolis, USA, 08.-12.09.2013.

M. Kohns, S. Becker, M. Horsch, H. Hasse: Molekulare Simulation der Benetzung geometrisch rauer Oberflächen (Poster), Thermodynamik-Kolloquium 2013, Hamburg, 07.-09.10.2013.

S. Pařez, G. Guevara-Carrion, H. Hasse, J. Vrabec: Mutual Diffusion in the Ternary Mixture Water + Methanol + Ethanol and its Binary Subsystems (Poster), Properties and Phase Equilibria for Product and Process Design, Iguazu Fall, Argentina - Brazil, 26.-30.04.2013.

S. Reiser, S. Deublein, J. Vrabec, H. Hasse: Molecular Simulation of Aqueous and Non-Aqueous Electrolyte Solutions, International Workshop Molecular Modeling and Simulation: Natural Science meets Engineering, Frankfurt, 11.-12.03.2013.

S. Reiser, M. Horsch, S. Deublein, J. Vrabec, H. Hasse: Molecular Simulation of Aqueous and Non-Aqueous Electrolyte Solutions, Thermodynamics 2013, Manchester, Great Britain, 03.-06.09.2013.

S. Reiser, M. Horsch, S. Deublein, J. Vrabec, H. Hasse: Molecular Simulation of Aqueous and Non-Aqueous Electrolyte Solutions, AIChE Annual Meeting, San Francisco, USA, 03.-08.11.2013.

S. Reiser, N. McCann, M. Horsch, H. Hasse: Hydrogen Bonding of Ethanol in Supercritical Mixtures with CO2 by 1H NMR Spectroscopy and Molecular Simulation (Poster), International Workshop Molecular Modeling and Simulation: Natural Science meets Engineering, Frankfurt, 11.-12.03.2013.

S. Reiser, N. McCann, M. Horsch, H. Hasse: Hydrogen Bonding of Ethanol in Supercritical Mixtures with CO2 by 1H-NMR Spectroscopy and Molecular Simulation (Poster), Thermodynamik-Kolloquium, Hamburg, 07.-09.10.2013.

S. Reiser, N. McCann, M. Horsch, H. Hasse: Hydrogen Bonding of Ethanol in Supercritical Mixtures with CO2 by 1H-NMR Spectroscopy and Molecular Simulation (Poster), Jahrestreffen der Fachgemeinschaft Fluiddynamik und Trenntechnik, Würzburg, 25.-27.09.2013.

O. Ryll, N. Asprion, S. Blagov, A. Dittel, M. Bortz, R. Welke, K.-H. Küfer, J. Burger, A. Scheithauer, H. Hasse: Hierarchical Modeling, Simulation and Optimization of Distillation Processes, 9th European Congress of Chemical Engineering (ECCE), The Hague, The Netherlands, 21.-25.04.2013.

A. Scheithauer, T. Grützner, C. Rijksen, D. Zollinger, H. Hasse: Entwicklung eines Verfahrens zur Herstellung von Crotonaldehyd, Jahrestreffen der Fachgemeinschaft Fluiddynamik und Trenntechnik, Würzburg, 25.-27.09.2013.

A. Scheithauer, T. Grützner, C. Rijksen, D. Zollinger, H. Hasse: Development of a Novel Process and Physico-Chemical Data for the Production of Crotonaldehyde from Aqueous Acetaldehyde Solutions, AIChE Annual Meeting, San Francisco, USA, 03.-08.11.2013.

Y. S. Shaikh, H. Hasse, P. Kampeis: Innovativer Einsatz von sterilen Einweg-Plastikbeuteln für Downstream-Prozesse der biotechnologischen Industrie (Poster), Frühjahrstagung der Biotechnologen, Frankfurt am Main, 04.-05.03.2013.

Y. S. Shaikh, H. Hasse, P. Kampeis: Optimierung einer HGMS-Filterkammer für Downstream-Prozesse mittels Multiphysics-Simulationen (Poster), Effiziente Verfahren und Anlagen in der Bioverfahrenstechnik und Lebensmittelbiotechnologie, Bad Wildungen, 06.-08.05.2013.

K. Stöbener, S. Reiser, M. Horsch, P. Klein, H. Hasse: Multi-Criterial Optimization of Force Field Models, International Workshop Molecular Modeling and Simulation: Natural Science meets Engineering, Frankfurt, 11.-12.03.2013.

K. Stöbener, S. Reiser, P. Klein, M. Horsch, H. Hasse: Pareto Optimization of Force Field Models, Thermodynamik-Kolloquium, Hamburg, 07.-09.10.2013.

E. von Harbou, A. Brächer, D. Holland, L. Gladden, H. Hasse: Ortsaufgelöste NMR Messungen zur Charakterisierung eines neuen Mikroreaktions-NMR-Messkopfs, Jahrestreffen der Fachgruppe Mikroverfahrenstechnik, Frankfurt a. M., 28.-29.10.2013.

E. von Harbou, M. Schmitt, C. Grossmann, H. Hasse: Morphologischer Ansatz zur Entwicklung zuverlässiger Modelle der heterogen katalysierten Reaktivdestillation, Jahrestreffen der Fachgemeinschaft Prozess-, Apparate- und Anlagetechnik, Bruchsal, 18.-19.11.2013.

M. Wagner, I. von Harbou, G. Maurer, H. Hasse: Modellierung und Simulation der CO2-Abtrennung durch Reaktivabsorption mit physikalisch-chemischen Stoffübergangsmodellen, Jahrestreffen der Fachgruppen Fluidverfahrenstechnik und Wärme- und Stoffübertragung, Baden-Baden, 22.-23.03.2013.

A. Werner, E. Hackemann, H. Hasse: Thermodynamics of Adsorption of Proteins in Hydrophobic Interaction Chromatography, Workshop “Molecular Processes and Dynamics in Biological Systems” (Invited Lecture), Kaiserslautern, 11.-12.09.2013.

A. Werner, E. Hackemann, H. Hasse: Experimental Study and Modeling of Influence of Mixed Electrolytes on Adsorption of Proteins, Thermodynamik Kolloquium, Hamburg, 07.-09.10.2013.

A. Werner, H. Hasse: Thermodynamic Study of Effects of Mixed Aqueous Electrolytes on Adsorption of PEGylated Lysozyme, Native Lysozyme and Pure PEG on a Mildly Hydrophobic Resin, 26th International Symposium, Exhibit and Workshops on Preparative and Process Chromatography PREP, Boston, MA, USA, 14.-17.07.2013.

A. Werner, H. Hasse: Thermodynamic Study of Effects of Mixed Aqueous Electrolytes on Adsorption of PEGylated Lysozyme, Native Lysozyme and Pure PEG on a Mildly Hydrophobic Resin, Jahrestreffen der Fachgemeinschaft Fluiddynamik und Trenntechnik, Würzburg, 25.-27.09.2013.

S. Werth, M. Horsch, H. Hasse: Surface Tension of Thin Films and Real Fluids (Poster), International Workshop Molecular Modeling and Simulation: Natural Science meets Engineering, Frankfurt, 11.-12.03.2013.

S. Werth, S. V. Lishchuk, G. Rutkai, J. Vrabec, M. Horsch, H. Hasse: Finite Size Effects of Thin Liquid Films, AIChE Annual Meeting, San Francisco, USA, 03.-08.11.2013.

S. Werth, G. Rutkai, J. Vrabec, M. Horsch, H. Hasse: The Influence of the Liquid Slab Thickness on the Interfacial Tension (Poster), Thermodynamics 2013, Manchester, Great Britain, 03.-06-09.2013.

S. Werth, G. Rutkai, J. Vrabec, M. Horsch, H. Hasse: Größeneffekte in dünnen flüssigen Filmen (Poster), Jahrestreffen der Fachgemeinschaft Fluiddynamik und Trenntechnik, Würzburg, 25.-27.-09.2013.

S. Werth, G. Rutkai, J. Vrabec, M. Horsch, H. Hasse: Vorhersage der Oberflächenspannung von Reinstoffen und Mischungen mittels molekularer Simulation, Thermodynamik Kolloquium, Hamburg, 07.-09.10.2013.

2012

N. Asprion, S. Blagov, O. Ryll, R. Welke, A. Dittel, U. Nowak, M. Bortz, K.-H. Küfer, J. Burger, A. Scheithauer, H. Hasse: Mehrkriterielle Optimierung in der Verfahrensentwicklung der chemischen Industrie, Jahrestreffen der Fachgruppen Computational Fluid Dynamics und Fluidverfahrenstechnik, Weimar, 12.-14.03.2012.

A. Brächer, S. Hoch, E. Von Harbou, B. Werner, K. Albert, H. Hasse: Kopplung von Mikro-Reaktionstechnologie und Online-NMR-Spektroskopie: ein neuer Weg zur Untersuchung schneller Reaktionskinetiken, ProcessNet Jahrestagung, Karlsruhe, 10.-13.09.2012.

J. Burger, N. Asprion, S. Blagov, A. Dittel, O. Ryll, R. Böttcher, R. Welke, U. Nowak, M. Bortz, K.-H. Küfer, A. Scheithauer, H. Hasse: Pareto-Optimierung in der Verfahrenstechnik (Tandem-Vortrag), ProcessNet Jahrestagung, Karlsruhe, 10.-13.09.2012.

J. Burger, H. Hasse: Multi-Objective Optimization and inverse Product Specification in conceptional Process Design, 20th International Congress of Chemical and Process Engineering CHISA, Prague, Czech Republic, 25.-29.08.2012.

J. Burger, D. Rothe, E. Ströfer, H. Hasse: Neue Dieseladditive Poly(oximethylen)dimethylether (OME): Eigenschaften, Herstellrouten und Prozessdesign, Jahrestreffen der Fachgruppen Computational Fluid Dynamics und Fluidverfahrenstechnik, Weimar, 12.-14.03.2012 (Poster-Präsentation).

S. Deublein, S. Reiser, J. Vrabec, H. Hasse: Molecular Simulation of Aqueous Electrolyte Solutions, Industrial use of Molecular Thermodynamics, Lyon, France, 19.-20.03.2012.

C. Engin, S. Reiser, M. Horsch, H. Hasse: Molecular Modelling of Hydrogen Bonding Fluids, Thermodynamik Kolloquium, Potsdam, 07.-10.10.2012.

H. Hasse, M. Horsch, J. Vrabec: Molekulare Kraftfeldmodelle für Anwendungen in der Reaktionstechnik (invited lecture), Dechema Kolloquium: Molekulare Modellierung und Simulation in der Reaktionstechnik, Frankfurt, 01.03.2012.

H. Hasse, M. Horsch, J. Vrabec: Molecular Modeling of Phase Equilibria for Chemical Engineering, International Symposium InPROMT 2012, Berlin, Germany, 15.-16.11.2012.

M. Horsch, H. Frentrup, C. Avendaño Jiménez, A. Marín Torres, A. Salih, J. Vrabec, E. Müller, H. Hasse: Non-Equilibrium Molecular Dynamics Simulation of Real Fluids in Nanoporous Materials, Industrial Use of Molecular Thermodynamics, Lyon, France, 19.03.2012.

M. Horsch, G. Jackson, S. V. Lishchuk, E. A. Müller, S. Werth, H. Hasse: The Size Dependence of the Vapour-Liquid Interfacial Tension, NTZ Workshop on Computational Physics, Leipzig, 30.11.2012.

M. Horsch, J. Vrabec, H. Hasse: Molecular Simulation of curved fluid Interfaces, Statistical Mechanics: Interplay of Theory and Computer Simulations, Mainz, Germany, 19.-21.09.2012 (Poster-presentation).

E. Kibrik, O. Steinhof, G. Scherr, W. Thiel, H. Hasse: Reaktionskinetik der UF-Leimharz-Synthese mittels online- und 2D-NMR Spektroskopie, ProcessNet Jahrestreffen Reaktionstechnik, Würzburg, 14.-16.05.2012.

E. Kibrik, O. Steinhof, W. Thiel, G. Scherr, H. Hasse: Reaction Kinetics of Synthesis of Urea-Formaldehyde Resins by Online and 2D NMR Spectroscopy 20th International Congress of Chemical and Process Engineering CHISA, Prague, Czech Republic, 25.-29.08.2012.

E. Kibrik, O. Steinhof, W. Thiel, G. Scherr, H. Hasse: Applications of 2D and On-line NMR Spectroscopy in Elucidation and Reaction Kinetic Studies of the Synthesis of Urea-Formaldehyde Resins, 2012 American Institute of Chemical Engineers (AIChE) Annual Meeting, Pittsburgh, USA, 28.10.-02.11.2012.

R. Merz, S. Becker, S. Emrich, H. Hasse, M. Kopnarski: Evaluation von Reinigungsprozeduren für tribologisch beanspruchte Probenoberflächen mittels Oberflächenanalytik, Angewandte Oberflächenanalytik (AOFA 17), Soest, 24.-26.09.2012.

S. Reiser, S. Deublein, J. Vrabec, H. Hasse: Molekulare Simulation von Ionen in wässrigen und nichtwässrigen Elektrolytlösungen, ProcessNet Jahrestagung, Karlsruhe, 10.-13.09.2012.

S. Reiser, N. McCann, M. Horsch, H. Hasse: Hydrogen Bonding of Ethanol in supercritical Mixtures with CO2 by 1H-NMR-spectroscopy and Molecular Simulation, Thermodynamik Kolloquium, Potsdam, 07.-10.10.2012.

A. Scheithauer, J. Burger, N. Asprion, S. Blagov, R. Böttcher, O. Ryll, R. Welke, A. Dittel, U. Nowak, M. Bortz, K.-H. Küfer, H. Hasse: Multi-Objective Optimization in Industrial Chemical Process Development by Navigation on Pareto Fronts, 2012 American Institute of Chemical Engineers (AIChE) Annual Meeting, Pittsburgh, USA, 28.10.-02.11.2012.

A. Scheithauer, J. Burger, N. Asprion, C. Grossmann, H. Hasse: Neue Methode zur Auslegung der Druckwechseldestillation, Jahrestreffen der Fachgruppen Computational Fluid Dynamics und Fluidverfahrenstechnik, Weimar, 12.-14.03.2012.

A. Scheithauer, J. Burger, N. Asprion, C. Grossmann, H. Hasse: New Method for the Design of Pressure-Swing Distillation, 20th International Congress of Chemical and Process Engineering CHISA, Prague, Czech Republic, 25.-29.08.2012.

A. Scheithauer, J. Burger, N. Asprion, C. Grossmann, H. Hasse: A Novel Systematic Approach to Pressure-Swing Distillation Process Design, 2012 American Institute of Chemical Engineers (AIChE) Annual Meeting, Pittsburgh, USA, 28.10.-02.11.2012.

E. Von Harbou, A. Brächer, A. Scheithauer, N. McCann, E. Kibrik, E. Ströfer, H. Hasse: Quantitative NMR Spektroskopie im Reaktions- und Prozessmonitoring (invited lecture), Kolloquium der Gesellschaft Deutscher Chemiker (GDCh), Marburg, 02.05.2012.

E. Von Harbou, S. Hoch, K. Savereide, K. Albert, H. Hasse: Coupling Online NMR Spectroscopy with Micro-Reaction Technology for Quantitative Studies of Fast Complex Reaction Networks, The International Conferences on Microreaction Technology, Lyon, France, 20.-22.02.2012.

M. Wagner, I. von Harbou, J. Kim, G. Maurer, H. Hasse: Physico-chemisches Modell und neue experimentelle Daten zur Löslichkeit von Kohlenstoffdioxid in wässrigen Monoethanolaminlösungen, ProcessNet Jahrestagung, Karlsruhe, 10.-13.09.2012 (Poster-Präsentation).

M. Wagner, I. Von Harbou, J. Kim, G. Maurer, H. Hasse: New Experimental Data and Physico-Chemical Model for the Solubility of Carbon Dioxide in Aqueous Solutions of Monoethanolamine, 2012 American Institute of Chemical Engineers (AIChE) Annual Meeting, Pittsburgh, USA, 28.10.-02.11.2012.

M. Wagner, I. Von Harbou, J. Kim, G. Maurer, H. Hasse: New Experimental Data and Physico-Chemical Model for the Solubility of Carbon Dioxide in Aqueous Solutions of Monoethanolamine, 26th European Symposium on applied Thermodynamics, Potsdam, Germany, 07.-10.10.2012.

A. Werner, T. Blaschke, H. Hasse: Influence of Ammonium Sulfate and Sodium Chloride on Adsorption of PEGylated Lysozyme and PEG on a Hydrophobic Resin, 2012 American Institute of Chemical Engineers (AIChE) Annual Meeting, Pittsburgh, USA, 28.10.-02.11.2012.

A. Werner, T. Blaschke, H. Hasse: Einfluss von Salzen auf die Adsorption von PEGyliertem Lysozym auf hydrophobem Trennmaterial, 30. DECHEMA-Jahrestagung der Biotechnologen 2012, Karlsruhe, 10.-13.09.2012.

A. Werner, T. Blaschke, H. Hasse: Influence of Ammonium Sulfate and Sodium Chloride on Adsorption of PEGylated Lysozyme and PEG on a Hydrophobic Resin, 9th European Symposium on Biochemical Engineering Science, and ISPPP 2012, 32st International Symposium & Exhibit on the Separation of Proteins, Peptides and Polynucleotides, Istanbul, Turkey, 23.-26.09.2012.

A. Werner, T. Blaschke, H. Hasse: Influence of Ammonium Sulfate and Sodium Chloride on Adsorption of PEGylated Lysozyme on a Hydrophobic Resin, XVII International Society for Biological Calorimetry (ISBC) Conference, Leipzig, Germany, 03.-06.06.2012.

S. Werth, S. Becker, M. Horsch, H. Hasse: Molecular Simulation of Interfaces: Finite Size Effects and Wetting Behaviour, Statistical Mechanics: Interplay of Theory and Computer Simulations, Mainz, Germany, 19.-21.09.2012 (Poster-presentation).

2011

N. Asprion, S. Blagov, O. Ryll, R. Welke, A. Winterfeld, A. Dittel, M. Bortz, K.-H. Küfer, J. Burger, A. Scheithauer, H. Hasse: Decision Support for Process Development in the Chemical Industry, 10th International Conference on Chemical & Process Engineering, Florence, Italy, 13.04.2011.

N. Asprion, S. Blagov, O. Ryll, R. Welke, A. Winterfeld, A. Dittel, M. Bortz, K.-H. Küfer, J. Burger, A. Scheithauer, H. Hasse: Multi-objective Optimization for Process Development in the Chemical Industry, 8th European Congress of Chemical Engineering, Berlin, 27.09.2011.

N. Asprion, S. Blagov, O. Ryll, R. Welke, A. Winterfeld, A. Dittel, M. Bortz, K.-H. Küfer, J. Burger, A. Scheithauer, H. Hasse: Pareto-Navigation in Chemical Engineering, 21st European Symposium on Computer-Aided Process Engineering, Chalkidiki, Greece, 12.05.2011.

J. Burger, M. Siegert, E. Ströfer, M. Nilles, H. Hasse: Poly(oxymethylene) Dimethyl Ethers as Components of Tailored Diesel Fuel: Properties, Synthesis and Purification Concepts, 8th European Congress of Chemical Engineering, Berlin, 25.-29.09.2011.

J. Burger, M. Siegert, E. Ströfer, M. Nilles, H. Hasse: Poly(oxymethylene) Dimethyl Ethers as Components of Tailored Diesel Fuel: Properties, Synthesis and Purification Concepts, AIChE Annual Meeting, Minneapolis, Minnesota, USA, 16.-21.10.2011.

S. Deublein, S. Reiser, J. Vrabec, H. Hasse: Molecular Simulation of Aqueous Electrolyte Solutions – New Models for Monovalent Ions, European Symposium for Applied Thermodynamics, St. Petersburg, Russia, 25.06.2011.

S. Deublein, S. Reiser, J. Vrabec, H. Hasse: Molecular Simulation of Aqueous Electrolyte Solutions – New Models for Monovalent Ions, Thermodynamics 2011, Athens, Greece, 01.-03.09.2011.

S. Deublein, S. Reiser, J. Vrabec, H. Hasse: Molecular Simulation of Aqueous Electrolyte Solutions – New Models for Monovalent Ions, Thermodynamics 2011, Athens, Greece, 01.-03.09.2011 (Poster-presentation).

S. Deublein, S. Reiser, J. Vrabec, H. Hasse: Molecular Simulation of Aqueous Electrolyte Solutions – New Models for Monovalent Ions, Molecular Modeling of Thermophysical Properties - Science meets Engineering, Dortmund, 15.-16.09.2011 (Poster-presentation).

S. Deublein, S. Reiser, J. Vrabec, H. Hasse: Neue Kraftfelder für Alkalihalogenide und das Hydroxidion, Thermodynamisches Kolloquium, Frankfurt, 04.-06.10.2011.

J. Drunsel, M. Renner, S. Blagov, H. Hasse: Entwicklung eines integrierten Reaktions- Destillationsverfahrens zur Herstellung von Methylal, Jahrestreffen der ProcessNet-Fachausschüsse Extraktion, Fluidverfahrenstechnik, Mehrphasenströmungen und Phytoextrakte - Produkte und Prozesse, Fulda, 03.-04.03.2011 (Poster-Präsentation).

H. Hasse: The Driving Forces of Fluid Process Engineering (invited lecture), International Symposium on Challenges in Fluid Process Engineering, Dortmund, 18.02.2011.

H. Hasse: Molekulare Simulationen fluider Systeme mit Kraftfeldmethoden: Struktur und physikalisch-chemische Eigenschaften (invited lecture), Symposium Thermodynamik, TU Dortmund, 25.03.2011.

H. Hasse: Exascale Computing in Chemical Engineering (invited lecture), Workshop: Software4 Exascale Computing, Bonn, 23.-24.05.2011.

H. Hasse, S. Hoch, E. v. Harbou, K. Albert: Reaction Monitoring in Chemical Engineering with Quantitative Online NMR Spectroscopy (invited lecture), Symposium on Reaction Monitoring using NMR and Vibrational Spectroscopy, Royal Society of Chemistry, Sandwich, UK, 22.03.2011.

S. Hoch, E. v. Harbou, K. Albert, H. Hasse: Kinetische Untersuchungen schneller Reaktionen durch Kopplung von Mikroreaktionstechnik und NMR-Spektroskopie, GDCh-NMR-Diskussionstagung "Praktische Probleme der Kernresonanzspektroskopie", Erlangen, 17.-18.01.2011.

M. Horsch, C. Avendaño Jiménez, H. Frentrup, M. Heitzig, Y.-T. Hsiang, A. Marín Torres, A. Salih, E. A. Müller, J. Vrabec, H. Hasse: Molecular Simulation of Real Fluids in Nanofiltration Membranes, Molecular Modeling of Thermophysical Properties - Science meets Engineering, Dortmund, 15.09.2011.

M. Horsch, S. Eckelsbach, H. Hasse, G. Jackson, E. A. Müller, G. Reina, J. Vrabec: Dependence of the Surface Tension on Curvature - Rigorously Determined from the Density Profiles of Nanodroplets, Thermodynamics, Athens, Greece, 01.10.2011.

M. Horsch, S. Miroshnichenko, J. Vrabec, A. K. Shchekin, E. A. Müller, G. Jackson, H. Hasse: A new Route to Evaluate the Curvature Dependence of the Surface Tension by Molecular Simulation, XXV. European Symposium on Applied Thermodynamics (ESAT), St. Petersburg, Russia, 25.06.2011.

M. Horsch, J. Vrabec, H. Hasse: Molecular Simulation of Curved Fluid Interfaces, Molecular Modeling of Thermophysical Properties - Science meets Engineering, Dortmund, 15.09.2011 (Poster presentation).

M. Horsch, J. Vrabec, H. Hasse: Molekulare Simulation gekrümmter Grenzflächen von Fluiden, Thermodynamik-Kolloquium 2011, Frankfurt am Main, 05.10.2011.

C. Kale, I. Tönnies, H. Hasse, A. Gorak: Modeling and Scale-up Study of Post Combustion CO2 Absorption using new Absorption Solvents, International Conference on Energy Process Engineering (ICEPE), Frankfurt am Main, 20.-22.06.2011.

C. Kale, I. Tönnies, H. Hasse, A. Gorak: Simulation of Reactive Absorption: Model Validation for CO2-MEA System, 21st European Symposium on Computer-Aided Process Engineering (ESCAPE), Chalkidiki, Greece, 29.05.-01.06.2011.

E. Kibrik, S. Hoch, E. Von Harbou, K. Albert, W. Thiel, H. Hasse: Quantitative Online NMR Spectroscopy for Reaction Monitoring in Chemical Engineering, Nanokat Frühjahrstagung, Kaiserslautern, 14.04.2011 (Poster-presentation).

E. Kibrik, S. Hoch, E. Von Harbou, K. Albert, W. Thiel, H. Hasse: Quantitative Online NMR Spectroscopy for Reaction Monitoring in Chemical Engineering, EUROMAR 2011 joint with the 33rd Discussion Meeting of the NMR Spectroscopy Division of the GDCh, Frankfurt am Main, 21.-25.08.2011 (Poster-presentation).

N. McCann, H. Hasse: Novel Applications of Isothermal Titration Calorimetry: Determination of Thermodynamic Parameters for Industrial Scale CO2 Capture (invited lecture), Pushing the Limits of Microcalorimetry, Kaiserslautern, 08.09.2011.

N. McCann, D. Phan, M. Maeder, H. Hasse: Understanding the Chemistry of Aqueous Amine based CO2 Capture, The 6th Asia Pacific Chemical Reaction Engineering Symposium, Beijing, China, 18.-21.09.2011.

N. McCann, D. Phan, M. Maeder, H. Hasse: Fundamental Chemistry of CO2-amine Interactions (invited lecture), Global Climate and Energy Project Workshop, Stanford, USA, 26.-27.05.2011.

T. Merker, J. Vrabec, H. Hasse: Thermodynamic Properties for the Heterogeneously Catalyzed Selective Oxidation of Cyclohexane in Carbon Dioxide Expanded Media by Experiment and Molecular Simulation, Thermodynamics 2011, Athens, Greece, 31.08.2011.

T. Merker, J. Vrabec, H. Hasse: Thermodynamic Properties for the Heterogeneously Catalyzed Celective Oxidation of Cyclohexane in Carbon Dioxide Expanded Media by Experiment and Molecular Simulation, Thermodynamics 2011, Athens, Greece, 31.08.2011 (Poster-presentation).

T. Merker, J. Vrabec, H. Hasse: Thermodynamic Properties for the Heterogeneously Catalyzed Selective Oxidation of Cyclohexane in Carbon Dioxide Expanded Media by Experiment and Molecular Simulation, 25th European Symposium on Applied Thermodynamics, St. Petersburg, Russia, 24.-27.06.2011 (Poster-presentation).

S. Reiser, J. Walter, S. Deublein, M. Horsch, J. Vrabec, H. Hasse: Atomistic Simulations of Electrolyte Solutions and Hydrogels with Explicit Water Models, The 14th Results and Review Workshop of the HLRS, Stuttgart, 04.-05.10.2011 (Poster-presentation).

B. Thomaß, J. Walter, M. Krone, H. Hasse, T. Ertl: Interactive Exploration of Polymer-Solvent Interactions, International Workshop on Vision, Modeling and Visualization, Berlin, 06.10.2011 (Poster-presentation).

I. Tönnies, H. Mangalapally, H. Hasse: Pilotanlagenexperimente zur CO2-Absorption aus Kraftwerksabgasen mit neuen Lösungsmitteln, Jahrestreffen des ProcessNet-Fachausschusses Fluidverfahrenstechnik, Fulda, 03.-04.03.2011 (Poster-Präsentation).

I. Tönnies, H. Mangalapally, H. Hasse: Pilot Plant Studies of new Solvents for Post Combustion CO2 Capture, International Conference on Energy Process Engineering (ICEPE), Frankfurt am Main, 20.-22.06.2011.

E. v. Harbou, M. Schmitt, C. Grossmann, H. Hasse: Morphologischer Ansatz zur Entwicklung zuverlässiger Modelle der heterogen katalysierten Reaktivdestillation Jahrestreffen der ProcessNet-Fachausschüsse Extraktion, Fluidverfahrenstechnik, Mehrphasenströmungen und Phytoextrakte – Produkte und Prozesse, Fulda, 03.-04.03.2011.

E. Von Harbou, M. Schmitt, C. Grossmann, H. Hasse: Novel Approach for the Development of Reliable Models for Heterogeneously Catalysed Reactive Distillation, 8th European Congress of Chemical Engineering, Berlin, 25.-29.09.2011.

J. Vrabec, B. Eckl, G. Guevara-Carrión, C. Engin, T. Merker, H. Hasse: Thermodynamic Properties of Ammonia by Molecular Simulation, International Conference on Ammonia Refrigeration Technology, Ohrid, Macedonia, 14.04.2011.

M. Wagner, I. Von Harbou, J. Kim, G. Maurer, H. Hasse: New Reference Quality Experimental Data for the Solubility of Carbon Dioxide in Aqueous Solutions of Monoethanolamine, 8th European Congress of Chemical Engineering, Berlin, 25.-29.09.2011 (Poster-presentation).

M. Wagner, I. Von Harbou, J. Kim, G. Maurer, H. Hasse: New Reference Quality Experimental Data for the Solubility of Carbon Dioxide in Aqueous Solutions of Monoethanolamine, Thermodynamik-Kolloquium, Frankfurt, 04.-06.10.2011 (Poster-presentation).

J. Walter, M. Horsch, J. Vrabec, H. Hasse: Molecular Dynamics Simulation and Experimental Study of the Volume Transition of PNIPAAm Hydrogels, Thermodynamics 2011, Athens, Greece, 02.09.2011.

J. Walter, J. Vrabec, H. Hasse: Molecular Dynamics Simulation of the Volume Transition of PNIPAAm Hydrogels, 8th European Congress of Chemical Engineering, Berlin, 26.09.2011.

R. Welke, M. Bortz, K.-H. Küfer, N. Asprion, H. Hasse: Multicriteria Optimization in Engineering of Chemical Plants, Multiple Criteria Decision Making, Jyväskylä, Finnland, 13.-17.06.2011.

A. Werner, T. Blaschke, H. Hasse: Microcalorimetric Study of the Adsorption of PEGylated Lysozyme on Chromatographic Resins (invited lecture), Pushing the Limits of Microcalorimetry Kaiserslautern, 08.09.2011.

A. Werner, T. Blaschke, H. Hasse: Thermodynamics of the Adsorption of PEGylated Lysozyme on Chromatographic Resins, Thermodynamik Kolloquium 2011, Frankfurt, 04.-06.10.2011.

A. Werner, T. Blaschke, H. Hasse: Thermodynamics of the Adsorption of PEGylated Lysozyme on a Hydrophobic Resin, 31st International Symposium & Exhibit on the Separation of Proteins, Peptides and Polynucleotides (ISPPP), Alexandria, Virginia, USA, 23.-26.10.2011.

A. Werner, T. Blaschke, H. Hasse: Thermodynamics of the Adsorption of Proteins on IEC- and HIC-Adsorbents (invited lecture), Young Scientists Workshop Biothermodynamics, Frankfurt, 13.12.2011.

A. Werner, T. Blaschke, H. Hasse: Mikrokalorimetrische Untersuchung der chromatographischen Trennung von Lysozym und seinen PEGylierten Isoformen (invited lecture), TAM-Usermeeting, Leipzig, 05.07.2011.

2010

M. Bernreuther, H. Hasse, M. Horsch, Z. Lin, S. Miroshnichenko, C. Niethammer, J. Vrabec: Capturing the Divergence of Length and Time Scales at the Critical Point by Molecular Dynamics Simulation, Competence in High Performance Computing (CiHPC), Schwetzingen, 22.06.2010.

T. Blaschke, H. Hasse: Microcalorimetric Studies of the Chromatographic Separation of Lysozyme and its PEGylated Isoforms, 3rd International Symposium on Biothermodynamics 2010, Bologna, Italy, 06.-08.09.2010.

S. Deublein, G. Guevara-Carrión, M. Bernreuther, J. Vrabec, H. Hasse: Neuer Open Source Code für molekulare Simulationen thermodynamischer Eigenschaften von Fluiden, Thermodynamik Kolloquium und Ingenieurdaten, Bayreuth, 04.-05.10.2010.

J. O. Drunsel, M. Renner, U. Schmidt, S. Blagov, H. Hasse: Development of a Highly Integrated Reaction-Distillation Process for the Production of Methylal AIChE Annual Meeting, Salt Lake City, USA, 07.-12.11.2010.

E. Elts, H. Hasse, J. Vrabec, H.-J. Bungartz: Molekulare Modellierung und Simulation von Molekülen mit inneren Freiheitsgraden, Thermodynamik Kolloquium und Ingenieurdaten, Bayreuth, 04.-05.10.2010.

V. Ermatchkov, L. Ninni Schäfer, H. Hasse, G. Maurer: Swelling of N-Isopropyl Acrylamide Hydrogels in Aqueous Solutions: Experimental Results and Modelling, Polymer Network Group Meeting 2010, Goslar, 29.08.-02.09.2010.

H. Garcia, I. Tönnies, S. Hoch, H. Mangalapally, G. Sieder, B. Eck, H. Hasse: CO2-Abtrennung aus Kraftwerksabgasen auf dem Weg von der Forschung und Entwicklung zur industriellen Anwendung, ProcessNet-Jahrestagung, Aachen, 21.-23.09.2010.

G. Guevara-Carrión, T. Merker, J. Vrabec, H. Hasse: Prediction of Transport Properties of Hydrogen Bonding Liquids by Molecular Simulation, AIChE Annual Meeting, Salt Lake City, USA, 07.-12.11.2010.

G. Guevara-Carrión, J. Vrabec, H. Hasse: Prediction of Transport Properties of Hydrogen Bonding Liquids by Molecular Simulation, ProcessNet Working Party Molecular Modelling and Simulation for Process and Product Design (EFCE Working Party on Thermodynamics and Transport Properties), Würzburg, 22.-23.03.2010 (Poster-presentation).

G. Guevara-Carrión, J. Vrabec, H. Hasse: Transportgrößen wasserstoffbrückenbildender Reinstoffe und Mischungen aus molekularen Simulationen, Thermodynamik Kolloquium und Ingenieurdaten, Bayreuth, 04.-05.10.2010.

H. Hasse: Molekulare Modellierung und Simulation in der Verfahrenstechnik (invited lecture), Kolloquium des Departments Chemie- und Bioingenieurwesen, Friedrich-Alexander Universität Erlangen, 21.01.2010.

H. Hasse: Molekulare Modellierung und Simulation in der Verfahrenstechnik, Physikalisches Kolloquium, TU Kaiserslautern, 01.02.2010.

H. Hasse, J. Vrabec: High Performance Computing in Molecular Simulations in Process Engineering, 12th Teraflop Workshop, Stuttgart, 15.-16.03.2010.

H. Hasse, J. Vrabec: Molecular Modeling and Simulation of Thermodynamic Properties of Fluids for Industrial Applications, 12th International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD), Suzhou, China, 17.05.2010.

S. Hoch, H. Mangalapally, I. Tönnies, N. McCann, H. Hasse: Predictive Modelling and Simulation of Reactive Absorption of CO2, Computer aided process engineering Forum 2010, Aachen, 11.-12.03.2010.

M. Horsch, Z. Lin, T. Windmann, J. Vrabec, H. Hasse: The Air Pressure Effect on CO2 Nucleation by Molecular Dynamics Simulation, 109. Hauptversammlung der Deutschen Bunsengesellschaft, Bielefeld, 14.05.2010 (Poster-Präsentation).

M. Horsch, J. Vrabec, H. Hasse: Surface Property Corrected Modification of the Classical Nucleation Theory, Collaborative Computational Project 5 (CCP5) Annual Conference Sheffield Hallam University, UK, 15.09.2010.

Y.-L. Huang, M. Heilig, J. Vrabec, H. Hasse: Molekulare Modellierung und Simulation physikalisch-chemischer Eigenschaften von Fluiden für industrielle Anwendungen Thermodynamik Kolloquium und Ingenieurdaten, Bayreuth, 04.-06.10.2010.

Y.-L. Huang, J. Vrabec, M. Heilig, H. Hasse: Molecular Modeling and Simulation of Vapor-Liquid Equilibria of Toxic Fluids for Process Engineering Applications, ProcessNet Working Party Molecular Modelling and Simulation for Process and Product Design (EFCE Working Party on Thermodynamics and Transport Properties), Würzburg, 22.-23.03.2010.

H. Mangalapally, H. Hasse: Pilot Plant Experiments with MEA and new Solvents for Post Combustion CO2 Capture by Reactive Absorption, Distillation & Absorption, Eindhoven, Netherlands, 12.-15.09.2010.

H. Mangalapally, H. Hasse: Pilot Plant Experiments for Post Combustion Carbon Dioxide Capture by Reactive Absorption with Novel Solvents, International Conference on Greenhouse Gas Control Technologies (GHGT10), Amsterdam, Netherlands, 19.-23.09.2010 (Poster-presentation).

N. McCann, M. Maeder, H. Hasse: Calorimetric Investigations on Carbamate Formation, The 10th International Conference on Greenhouse Gas Control Technologies GHGT10, Amsterdam, Netherlands, 21.09.2010 (Poster-presentation).

T. Merker, J. Vrabec, H. Hasse: Experimentelle Untersuchung und molekulardynamische Simulation der Gaslöslichkeit von Sauerstoff in Cyclohexanol, Thermodynamik Kolloquium und Ingenieurdaten, Bayreuth, 04.-06.10.2010 (Poster-Präsentation).

T. Merker, J. Vrabec, H. Hasse: Thermodynamic Properties for the Heterogeneously Catalyzed Selective Oxidation of Cyclohexane in Carbon Dioxide Expanded Media by Experiment and Simulation, 12th International Conference on Properties and Phase Equilibria for Product and Process Design PPEPPD, Suzhou, China, 16.-21.05.2010 (Poster-presentation).

T. Merker, J. Vrabec, H. Hasse: Thermodynamic Properties for the Heterogeneously Catalyzed Selective Oxidation of Cyclohexane in Carbon Dioxide Expanded Media by Experiment and Molecular Simulation, ProcessNet Working Party Molecular Modelling and Simulation for Process and Product Design (EFCE Working Party on Thermodynamics and Transport Properties), Würzburg, 22.-23.03.2010 (Poster-presentation).

I. Tönnies, H. Mangalapally, H. Hasse: Sensitivity Study for the Rate-based Simulation of the Reactive Absorption of CO2, International Conference on Greenhouse Gas Control Technologies (GHGT10), Amsterdam, Netherlands, 19.-23.09.2010 (Poster-presentation).

E. v. Harbou, M. Schmitt, S. Parada, C. Großmann, H. Hasse: Neue Kolonneneinbauten für Studien der heterogen katalysierten Reaktivdestillation, Jahrestreffen der ProcessNet-Fachausschüsse Fluidverfahrenstechnik, Fulda, 04.-05.03.2010.

E. v. Harbou, M. Schmitt, S. Parada, C. Großmann: Neue Kolonneneinbauten zur Untersuchung der heterogen katalysierten Reaktivdestillation – Charakterisierung, Modellierung und Simulation, Jahrestreffen Reaktionstechnik, Würzburg, 10.-12.05.2010.

E. v. Harbou: The D+R Tray: Novel Laboratory Equipment for Studying Heterogeneously Catalyzed Reactive Distillation – Design and Simulation-based Validation, Distillation & Absorption, Eindhoven, Netherlands, 12.-15.09.2010.

J. Vrabec, M. Horsch, S. Miroshnichenko, M. Bernreuther, H. Hasse: Steady State Molecular Dynamics Simulation of Nucleation and Droplet Surface Properties in a Supersaturated Vapour, ProcessNet Working Party Molecular Modelling and Simulation for Process and Product Design (EFCE Working Party on Thermodynamics and Transport Properties), Würzburg, 22.-23.03.2010.

J. Walter, V. Ermatchkov, T. Merker, J. Vrabec, H. Hasse: Molecular Simulation Study of the Volume Transition of Hydrogels, AIChE Annual Meeting, Salt Lake City, USA, 07.-12.11.2010.

J. Walter, V. Ermatchkov, J. Vrabec, H. Hasse: Molecular Simulation Study of the Volume Transition of Hydrogels, Deutsche Physikalische Gesellschaft Spring Meeting 2010 of the Condensed Matter Section, Regensburg, 22.03.2010.

J. Walter, V. Ermatchkov, J. Vrabec, H. Hasse: Molecular Simulation Study of the Volume Transition of Hydrogels, EFCE Workshop und ProcessNet Working Party, Molecular Modelling and Simulation for Industrial Applications: Physico-Chemical Properties and Processes, Würzburg, 22.-23.03.2010.

J. Walter, J. Vrabec, G. Guevara-Carrión, T. Merker, H. Hasse: Molecular Modeling of Hydrogen Bonding Fluids: Transport Properties and Vapor Liquid Coexistence, High Performance Computing in Science and Engineering 2010, Stuttgart, 04.10.2010.

2009

T. Blaschke, H. Hasse, M. Dieterle: Biothermodynamic Studies of Adsorption of Monoclonal Antibodies on Chromatographic Resins, 8th World Congress of Chemical Engineering, Montréal, Quebec, Canada, 23.-27.08.2009.

M. Dieterle, T. Blaschke, H. Hasse: Thermodynamische Grundlagen der chromatographischen Reinigung von Antikörpern (invited lecture), DECHEMA/GVC Gemeinschaftsausschuss Bioprozesstechnik, Ludwigshafen/Rhein, 02.10.2009.

E. Geissler, O. Ryll, S. Sander, H. Hasse: Reactive Distillation in Dividing Wall Columns: Methyl Acetate Hydrolysis Example, 8th World Congress of Chemical Engineering, Montréal, Quebec, Canada, 23.-27.08.2009.

G. Guevara-Carrión, H. Hasse, J. Vrabec: Transport Properties of Hydrogen Bonding Fluids: Molecular Simulation and Taylor Dispersion Measurements, 8th World Congress of Chemical Engineering, Montréal, Quebec, Canada, 23.-27.08.2009.

G. Guevara-Carrión, J. Vrabec, H. Hasse: Transport Properties of Liquids by Molecular Simulation: From Model Systems to Hydrogen Bonding Fluids, Thermodynamics 2009, London, UK, 23.-25.09.2009 (Poster-presentation).

G. Guevara-Carrión, J. Vrabec, C. Nieto-Draghi, H. Hasse: Transport Properties of Hydrogen Bonding Fluids: Molecular Simulation and Taylor Dispersion Measurements, 24th european symposium on applied thermodynamics, Santiago de Compostela, Spain, 27.06.-01.07.2009.

G. Guevara-Carrión, J. Vrabec, C. Nieto-Draghi, H. Hasse: Transportkoeffizienten von Alkoholen und Wasser: Molekulare Simulation und Messungen mit der Taylor-Dispersions Methode, ProcessNet Jahrestagung, Mannheim, 08.-10.09.2009.

H. Hasse: Molekulare Modellierung und Simulation in der Verfahrenstechnik: von einfachen Molekülen zu Hydrogelen (invited lecture), Physikalisch-theoretisch-chemisches Kolloquium des Fachbereichs Chemie der TU Kaiserslautern und des Landesforschungszentrums Optimas, Kaiserslautern, 27.01.2009.

H. Hasse: Molekulare Modellierung und Simulation: Schnittstelle zwischen Ingenieurwissenschaften, Naturwissenschaften, Informatik und Mathematik (invited lecture), Oberseminar Optimierung, Fachbereich Mathematik, und Landesforschungsschwerpunkt Center for Mathematical and Computational Modeling, Kaiserslautern, 02.02.2009.

H. Hasse: Molekulare Modellierung und Simulation in der Verfahrenstechnik: von einfachen Molekülen zu Hydrogelen, Seminarvortrag am Lehrstuhl für Theoretische Chemie der Universität Leipzig, Fakultät für Chemie und Mineralogie, Leipzig, 25.03.2009.

H. Hasse: Diffusion in Fluiden: von der molekularen Modellierung und Simulation bis zur Anwendung in der Auslegung großtechnischer Projekte, Kolloquium an der Universität Leipzig, Fakultät für Chemie und Mineralogie, Leipzig, 26.03.2009.

H. Hasse: Molekulare Modellierung und Simulation in der Verfahrenstechnik: von einfachen Molekülen zu Hydrogelen, Kolloquium der Fakultät für Bio- und Chemieingenieurwesen, TU Dortmund, Dortmund, 03.06.2009.

H. Hasse, J. Vrabec: Molecular Modeling and Simulation in Process Engineering (invited lecture), Joint Workshop of Cluster of Excellence Simulation Technology (SIMTEC) and Working Party Simulation (ASIM), Stuttgart, 18.-20.02.2009.

H. Hasse, J. Vrabec, H.-J. Bungartz: High Performance Computing (PHPC) in der Verfahrenstechnik, ProcessNet Jahrestagung, Mannheim, 08.-10.09.2009.

S. Hoch, K. Albert, B. Werner, H. Kost, H. Hasse: Untersuchung schneller Reaktionskinetiken durch Kopplung von Mikroreaktionstechnik und Kapillar-Durchfluss-NMR-Spektroskopie, Jahrestreffen Reaktionstechnik, Würzburg, 08.-10.06.2009.

S. Hoch, H. Hasse, K. Albert: Fast Reaction Networks Studies by Coupling Quantitative Online NMR-Spectroscopy with Microreactors, 8th World Congress of Chemical Engineering, Montréal, Quebec, Canada, 23.-27.08.2009.

S. Hoch, H. Mangalapally, N. McCann, R. Notz, H. Hasse: Predictive Modelling and Simulation of Reactive Absorption of CO2, 5th Conference on CO2 Capture, Transport and Storage, Trondheim, Norway, 16.-17.06.2009.

S. Hoch, H. P. Mangalapally, H. F. S. X. Luo, J. N. Knudsen, F. A. Tobiesen, O. Juliussen, M. Köpcke, T. Sanpasertparnich, R. Idem, D. deMontigny, P. Tontiwachwuthikul, H. Hasse: Internationale Studie zur reaktiven Absorption von Kohlendioxid aus Rauchgasen: vier Pilotanlagen, fünf Modelle, fünf Simulatoren, Jahrestreffen der Fachausschüsse Kristallisation und Fluidverfahrenstechnik, Dortmund, 12.-13.03.2009.

M. Horsch, H. Hasse, J. Vrabec: Grand Canonical Molecular Dynamics Simulation of Homogeneous Nucleation, BCNucleation-Aggregation Workshop, Universitat de Barcelona, Departament de Física Fonamental, Barcelona, Spanien, 18.-19.06.2009.

M. Horsch, H. Hasse, J. Vrabec: Steady State Molecular Dynamics Simulation of Vapour to Liquid Nucleation, Thermodynamics 2009, London, UK, 23.-25.09.2009.

M. Horsch, M. Heitzig, T. Merker, T. Schnabel, Y.-L. Huang, H. Hasse, J. Vrabec: Molecular Modeling of Hydrogen Bonding Fluids: Vapor-Liquid Coexistence and Interfacial Properties, High Performance Computing in Science and Engineering 2009, Stuttgart, 08.10.2009.

M. Horsch, J. Vrabec, M. Bernreuther, H. Hasse: Poiseuille Flow of Liquid Methane in Nanoscopic Graphite Channels by Molecular Dynamics Simulation, 6th International Symposium on Turbulence, Heat and Mass Transfer (THMT '09), Rome, Italy, 14.09.2009.

H. P. Mangalapally, S. Hoch, I. Tönnies, H. Hasse, R. Notz: Post-Combustion CO2 Capture by Reactive Absorption with Alkanolamines, 8th World Congress of Chemical Engineering, Montréal, Quebec, Canada, 23.-27.08.2009.

N. McCann, D. Phan, M. Maeder: A Mechanistic Model for Directed Solvent Development, Joint Seminar on CO2 absorption fundamentals, NTNU, Trondheim, Norwegen, 14.-17.06.2009.

R. Notz, I. Tönnies, S. Hoch, H. P. Mangalapally, H. Hasse: Short-Cut-Method for the Evaluation of new Solvents for Post-Combustion CO2-Capture, Joint Seminar on CO2 absorption fundamentals, NTNU, Trondheim, Norway, 14.-17.06.2009.

R. Notz, I. Tönnies, S. Hoch, H. P. Mangalapally, H. Hasse: Short-Cut-Method for the Evaluation of new Solvents for Post-Combustion CO2-Capture, Joint Seminar on CO2 absorption fundamentals, NTNU, Trondheim, Norway, 14.-17.06.2009 (Poster-presentation).

R. Notz, I. Tönnies, H. Mangalapally, S. Hoch, H. Hasse: Short-Cut-Methode zur Lösungsmittelauswahl für die Reaktivabsorption von CO2 mit wässrigen Aminlösungen, Jahrestreffen der Fachausschüsse Kristallisation und Fluidverfahrenstechnik, Dortmund, 12.-13.03.2009.

O. Ryll, S. A. Blagov, H. Hasse: Computer-aided Conceptual Design of Reaction-Distillation-Processes, 8th World Congress of Chemical Engineering, Montréal, Quebec, Canada, 23.-27.08.2009.

J. Walter, S. Deublein, J. Vrabec, H. Hasse: Development of Models for Large Molecules and Electrolytes in Solution for Process Engineering, High Performance Computing in Science and Engineering 2009, Stuttgart, 08.-09.10.2009 (Poster-presentation).

J. Walter, V. Ermatchkov, G. Maurer, H. Hasse: Modellierung und Simulation des Quellverhaltens von Hydrogelen mit phänomenologischen und molekularen Methoden, ProcessNet Jahrestagung, Mannheim, 08.-10.09.2009.

J. Walter, V. Ermatchkov, G. Maurer, H. Hasse: Modellierung und Simulation des Quellverhaltens von Hydrogelen mit phänomenologischen und molekularen Methoden, Thermodynamik-Kolloquium und Ingenieurdaten, Berlin, 05.-07.10.2009.

J. Walter, J. Vrabec, H. Hasse: Molecular Simulation Study of the Influence of Temperature on the Volume Change of Synthetic Hydrogels, VIII Iberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design, Praia da Rocha, Portugal, 17.-21.10.2009.

2008

T. Blaschke, M. Dieterle, H. Hasse: Biothermodynamische Untersuchung der Absorption monoklonarer Antikörper an Ionentauschermaterialien, ProcessNet-Jahrestagung, Karlsruhe, 07.-09.10.2008.

P. G. Cifre, K. Brechtel, S. Hoch, H. Garcia, N. Asprion, H. Hasse, G. Scheffknecht: Integration of a Chemical Process Model in a Power Plant Modelling Tool for the Simulation of an Amine Based CO2 Scrubbing, 33rd International Technical Conference on Coal Utilization and Fuel Systems, Clearwater, USA, 01.-05.06.2008.

M. Dieterle, H. Hasse: Biothermodynamic Studies of Adsorption of Monoclonal Antibodies on Chromatographic Resins: Microcalorimetry and Laser Light Scattering, 2nd International Symposium on Biothermodynamics, Frankfurt/Main, 21.-22.02.2008.

B. Eckl, J. Vrabec, H. Hasse: Industrial Fluid Property Simulation Challenge: Stoffdaten für die chemische Industrie aus molekularen Simulationen, Jahrestreffen der ProcessNet-Fachausschüsse Adsorption und Fluidverfahrenstechnik, Bingen, 13.-14.03.2008.

E. Geissler, O. Ryll, S. Sander, I. Müller, C. Großmann, E. Y. Kenig, H. Hasse: Reaktivdestillation in Trennwandkolonnen: Methylacetat-Hydrolyse als Beispielprozess, Jahrestreffen der ProcessNet-Fachausschüsse Adsorption und Fluidverfahrenstechnik, Bingen, 13.-14.03.2008.

G. Guevara-Carrión, T. Merker, J. Vrabec, H. Hasse: Molecular Modeling of Hydrogen Bonding Fluids: New Cyclohexanol Model and Transport Properties of Short Monohydric Alcohols, High Performance Computing in Science and Engineering 2008, Stuttgart, 29.-30.09.2008.

G. Guevara-Carrión, J. Vrabec, C. Nieto-Draghi, H. Hasse: Transportkoeffizienten von Alkoholen und Wasser: Molekulare Simulation und Messungen mit der Taylor-Dispersions Methode, Thermodynamik Kolloquium, Erlangen, 26.09.2008.

H. Hasse: Biothermodynamische Untersuchung der Adsorption monoklonaler Antikörper an chromatographischen Trennmaterialien, Vortrag im Kolloquium des Schwerpunkts Wirkstoffe für die Zukunft, TU Kaiserslautern, 19.06.2008.

H. Hasse: Thermodynamics of Chemically Reactive Systems: From Spectroscopic Studies to Industrial Applications (invited lecture), 20th International Conference on Chemical Thermodynamics (ICCT), Warsaw, Poland, 03.-08.08.2008.

H. Hasse: Online NMR-Spectroscopy in Reaction and Process Monitoring, The Pharmazeutical Analytical Sciences Group, PASG, Autumn Conference 2008, Cambridge, UK, 29.-30.09.2008.

H. Hasse, J. Vrabec: Molukulare Simulationen in den Ingenieurwissenschaften (invited lecture), Symposium zu zukünftigen Anwendungsfeldern des High Performance Computings des Höchstleistungsrechenzentrums Stuttgart (HLRS), Stuttgart, 26.-27.07.2008.

H. Hasse, J. Vrabec: Molekulare Simulationen in den Ingenieurwissenschaften, High Performance Computing Workshop, Stuttgart, 26.-27.06.2008.

S. Hoch, K. Albert, H. Hasse: Reaktionskinetische Untersuchungen durch Kopplung von Mikroreaktionstechnik und Kapillar-Durchfluß-NMR-Spektroskopie, GDCh-NMR-Diskussionstagung, Erlangen, 14.-15.01.2008.

S. Hoch, K. Albert, H. Hasse: Quantitative Online NMR-Spectroscopy in Process Analytics: Coupling with Microreactors in Studies of Fast Reaction Networks, International Symposium on Micro Chemical Process and Synthesis, Kyoto TERRSA, Kyoto, Japan, 11.-13.09.2008.

Y.-L. Huang, B. Eckl, J. Vrabec, H. Hasse: Industrial Fluid Property Challenge: Thermo-Physical Properties for Process Engineering Applications from Molecular Simulation, 20th International Conference on Chemical Thermodynamics (ICCT), Warsaw, Poland, 03.-08.08.2008.

H. Mangalapally, R. Notz, S. Hoch, N. Asprion, G. Sieder, H. Garcia, H. Hasse: Pilot Plant Experimental Studies of Post-Combustion CO2-Capture by Reactive Absorption with MEA and new Solvents, International Conference on Greenhouse Gas Control Technologies (GHGT-9), Washington, DC, USA, 16.-20.11.2008.

T. Merker, J. Vrabec, H. Hasse: Thermodynamic Investigation of the System Oxygen + Carbon Dioxide + Cyclohexane + Cyclohexanol + Cyclohexanone, AIChE Annual Meeting, Philadelphia, PA, USA, 21.11.2008.

R. Notz, S. Hoch, H. Mangalapally, K. Brechtel, P. G. Cifre, G. Scheffknecht, H. Hasse: Gekoppelte Simulation eines Kohlekraftwerks mit zugehöriger MDEA-Wäsche zur Abtrennung und experimentelle Untersuchung neuer Lösungsmittel in einer Technikumsanlage, ProcessNet-Jahrestagung, Karlsruhe, 07.-09.10.2008.

R. Notz, H. Mangalapally, S. Hoch, N. Asprion, G. Sieder, H. Garcia, H. Hasse: CO2-Abtrennung aus Kraftwerksabgasen durch Reaktivabsorption: Experimentelle Untersuchung im Technikumsmaßstab, Prozesssimulation und neue Lösungsmittel, Jahrestreffen der ProcessNet-Fachausschüsse Adsorption und Fluidverfahrenstechnik, Bingen, 13.-14.03.2008.

F. Schaal, H. Hasse, T. Weimer: Membranabsorber für die Absorptionskältetechnik, Jahrestreffen der ProcessNet-Fachausschüsse Adsorption und Fluidverfahrenstechnik, Bingen, 13.-14.03.2008 (Poster-Präsentation).

F. Schaal, T. Weimer, H. Hasse: Membrane Contractors for Absorption Refrigeration, International Sorption Heat Pump Conference 2008, Seoul, Korea, 23.-26.09.2008.

O. Steinhof, H. Hasse: Kinetische Untersuchung von komplexen Reaktionsnetzwerken am Beispiel der Synthese von Klebstoffen, GDCh-NMR-Diskussionstagung, Erlangen, 14.-15.01.2008.

O. Steinhof, S. Hoch, K. Albert, H. Hasse: Quantitative Online-NMR Spectroscopy in Process Analytics: Coupling with Batch Reactors and Microreactors in Studies of Complex Industrial Reaction Networks, 49th Experimental Nuclear Magnetic Resonance Conference (ENC), Asilomar Conference Grounds, Pacific Grove, CA, USA, 09.-14.03.2008.

O. Steinhof, S. Hoch, K. Albert, H. Hasse: Quantitative Online-NMR Spectroscopy in Process Analytics: Coupling with Conventional and Microreactors in Studies of Industrially Relevant Complex Reaction Networks 1st European Conference on Process Analytics and Control Technology (EuroPACT), Frankfurt/Main, 22.04.2008 (Poster-presentation, Awarded “Best Poster Prize” at the conference).

O. Steinhof, S. Hoch, K. Albert, H. Hasse: Quantitative Online-NMR Spectroscopy in Process Analytics: Coupling with Batch Reactors and Microreactors in Studies of Complex Industrial Reaction Networks, EUROMAR-2008, St. Petersburg, Russia, 06.-11.07.2008.

H. Svendsen, X. Luo, J. N. Knudsen, D. de Montigny, T. Sanpasertparnich, R. Idem, D. Gelowitz, R. Notz, S. Hoch, H. Hasse, E. Lemaire, P. Alix, F. A. Tobiesen, O. Juliussen, M. Köpcke: Comparison and Validation of Simulation Codes against Sixteen Sets of Data from Four Different Pilot Plants, International Conference on Greenhouse Gas Control Technologies (GHGT-9), Washington DC, USA, 16.-20.11.2008.

J. Vrabec, B. Eckl, H. Hasse: On the Application of Force Fields for Predicting a Wide Variety of Properties: Ethylene Oxide as an Example, International Workshop Molecular Modeling and Simulation in Applied Material Science, Dechema, Frankfurt/Main, 10.-11.03.2008.

J. Vrabec, H. Hasse: Molekulare Simulation von nano-skaligen Flüssigkeitströpfchen und der homogenen Keimbildung bei der Kondensation, DECHEMA-Werkstattgespräch, Karlsruhe, 10.-11.04.2008.

J. Vrabec, M. Horsch, H. Hasse: Molecular Dynamics based Analysis of Nucleation and Surface Energy of Droplets in Supersaturated Vapors, ASME Micro/Nanoscale Heat Transfer International Conference, Tainan, Taiwan, 06.-09.01.2008.

J. Vrabec, T. Merker, T. Schnabel, H. Hasse: A Systematic Approach to Combination Rules: Unlike Lennard-Jones Parameters for Vapor-Liquid Equilibria, AIChE Annual Meeting, Philadelphia, PA, USA, 17.11.2008 (Poster-presentation).

2007

T. Blaschke, M. Dieterle, H. Hasse: Experimentelle Untersuchung und Modellierung der Adsorption monoklonaler Antikörper an chromatographischen Trennmaterialien, 4. Doktorandenseminar "Purification of Biologicals", Hamburg, 16.-18.09.2007.

M. Dieterle, H. Hasse: Biothermodynamic Studies of Adsorption of Monoclonal Antibodies on Chromatographic Resins: Microcalorimetry and Laser Light Scattering, ISPPP Symposium 2007, Orlando, USA, 21.-24.10.2007.

M. Dieterle, H. Hasse: Biothermodynamic Studies of Adsorption of Monoclonal Antibodies on Chromatographic Resins: Microcalorimetry and Laser Light Scattering, Asia pacific biochemical engineering conference Taipei, Taiwan, 04.-07.11.2007.

M. Dieterle, D. Höhn, H. Hasse: Mikrokalometrische Studien der Adsorption monoklonaler Antikörper an chromatographische Trennmaterialien, Fachtagung AEM 2007, Asselheim, 21.-23.03.2007.

M. Dieterle, D. Höhn, H. Hasse: Biothermodynamische Studien der Adsorption monoklonaler Antikörper an chromatographische Trennmaterialien, GVC/Dechema Tagung "Aufarbeitung biotechnologischer Produkte", Osnabrück, 13.-16.05.2007.

M. Dieterle, D. Höhn, H. Hasse: Biothermodynamische Studien der Adsorption monoklonaler Antikörper an chromatographische Trennmaterialien, 4. Doktorandenseminar "Purification of Biologicals", Hamburg, 16.-18.09.2007.

B. Eckl, Y.-L. Huang, T. Schnabel, J. Vrabec, H. Hasse: Vapor-Liquid Equilibria of Mixtures and Combination Rules: A Systematic Approach, Thermodynamics 2007, Rueil-Malmaison, France, 26.-28.09.2007.

B. Eckl, T. Schnabel, J. Vrabec, H. Hasse: Development of Molecular Models for Application in Process Engineering, Fachtagung AEM 2007, Asselheim, 21.-23.03.2007.

H. Hasse, M. Maiwald, T. Grützner, E. Ströfer: NMR-Spectroscopy: Key Technology for the Development of a new Industrial Trioxane Process, RSC NMR Discussion Group and Analytical Division, 2007 Spring Meeting „NMR in Process Chemistry and Development”, Ware, Hertfordshire, UK, 06.03.2007.

H. Hasse, M. Maiwald, O. Steinhof, T. Grützner, E. Ströfer: Quantitative Online NMR-Spektroskopie in der Verfahrensentwicklung (invited lecture), GDCh- und Chemisches Kolloquium an der Carl von Ossietzky Universität Oldenburg, Oldenburg, 01.02.2007.

S. Hoch, R. Notz, H. Mangalapally, N. Asprion, H. Garcia, J. N. Knudsen, P.-J. Vilhelmsen, J. N. Jensen, O. Biede, H. Hasse: CO2-Abtrennung aus Rauchgasen mit Monoethanolamin: Experimentelle Untersuchung in verschiedenen Skalen, Modellierung, Simulation und Auslegung einer großtechnischen Anlage, ProcessNet-Jahrestagung 2007, Aachen, 16.-18.10.2007.

M. Maiwald, H. Hasse: Online NMR-Spektroskopie in der Prozessanalytik, ANAKON 2007, Jena, 27.-30.03.2007.

T. Merker, J. Vrabec, H. Hasse: Novel Octahedral Redox Molecular Sieves for the Heterogeneously Catalyzed Selective Oxidation of Cyclohexane: Thermodynamic Investigation of the System Oxygen + Carbon Dioxide + Cyclohexane + Cyclohexanol + Cyclohexanone, 1st International Symposium on Selective Oxidation Catalysis: C-H activation via molecular oxygen, Hohenheim, 29.10.2007 (Poster-presentation).

O. Ryll, S. Blagov, H. Hasse: Rechnergestützter konzeptioneller Entwurf von Destillations-/Reaktionsprozessen, ProcessNet-Fachausschuss Fluidverfahrenstechnik der Dechema/VDI-GVC, Karlsruhe, 12.-13.02.2007.

O. Ryll, S. Blagov, H. Hasse: Konzeptioneller Verfahrensentwurf auf Basis der Betrachtung thermodynamisch limitierter Grenzfälle, VDI-GET Thermodynamik-Kolloquium, Rostock, 08.-10.10.2007.

O. Ryll, S. Blagov, H. Hasse: Computer-aided Conceptual Design of Homogeneous and Heterogeneous Multicomponent Distillation-Reaction-Processes, AIChE Annual Meeting, Salt Lake City, USA, 04.-09.11.2007.

O. Ryll, E. Geißler, S. Sander, C. Flisch, H. Hasse: Modellierung und Simulation der reaktiven Trennwandkolonne am Beispiel der Methylacetat-Hydrolyse, ProcessNet-Jahrestagung 2007, Aachen, 16.-18.10.2007.

F. Schaal, T. Weimer, H. Mattes, H. Hasse: Experimentelle Untersuchung gekühlter Membranabsorber in einer Absorptionskälteanlage, Deutsche Kälte-Klima-Tagung, Hannover, 22.-23.11.2007.

F. Schaal, T. Weimer, N. Stroh, E. Walitza, H. Hasse: Gekühlte Membranabsorber für die Absorptionskältetechnik, VDI-GET Thermodynamik-Kolloquium, Rostock, 08.-10.10.2007.

T. Schnabel, M. Maiwald, J. Vrabec, H. Hasse: Molecular Models of Hydrogen Bonding Fluids: Development and Validation using Thermodynamic and NMR-Data, Thermodynamics 2007, Rueil-Malmaison, France, 26.-28.09.2007.

T. Schnabel, J. Vrabec, H. Hasse: Molekulare Modelle H-Brücken bildender fluider Reinstoffe und Mischungen: Entwicklung und Validierung anhand thermodynamischer und NMR-Daten, VDI-GET Thermodynamik-Kolloquium, Rostock, 08.-10.10.2007.

T. Schnabel, J. Vrabec, H. Hasse: Molekulare Modelle H-Brücken bildender Fluide: Entwicklung und Validierung anhand thermodynamischer und NMR-Daten, ProcessNet-Jahrestagung 2007, Aachen, 16.-18.10.2007.

O. Steinhof, H. Hasse: Online NMR-Spectroscopy in Process Analytics - A Kinetic Study of the Formation of Nitrogen Rich Resins, Small Molecule NMR Conference, Chamonix, France, 16.-19.09.2007 (Poster-presentation).

O. Steinhof, S. Hoch, T. Grützner, H. Hasse: Online NMR-Spectroscopy in Process Analytics, VDI-GET Thermodynamik-Kolloquium, Rostock, 08.-10.10.2007 (Poster-presentation).

J. Vrabec, M. Horsch, H. Hasse: Molecular Simulation of Nano-Scale Droplets and Their Formation in Homogeneous Nucleation, Fachtagung AEM 2007, Asselheim, 21.-23.03.2007.

J. Vrabec, M. Horsch, H. Hasse: Molecular Simulation of Nano-Scale Droplets and Their Formation in Homogeneous Nucleation, Thermodynamics 2007, Rueil-Malmaison, France, 26.-28.09.2007.

J. Vrabec, M. Horsch, H. Hasse, A. Wix, K. Schaber: Molekulare Simulation von nano-skaligen Flüssigkeitströpfchen und der homogenen Keimbildung bei der Kondensation, VDI-GET Thermodynamik-Kolloquium, Rostock, 08.-10.10.2007.

J. Vrabec, J. Vorholz, H. Hasse: Molekulare Modellierung und Simulation für das Prozessdesign, ProcessNet-Fachausschuss Fluidverfahrenstechnik der Dechema/VDI-GVC, Karlsruhe, 12.-13.02.2007.

2006

M. Dieterle, H. Hasse: Microcalorimetric Studies of Adsorption of Monoclonal Antibodies on Cation Exchange Resins, ISPPP Symposium 2006, Innsbruck, Austria, 17.-20.10.2006 (Poster-presentation).

M. Dieterle, D. Höhn, H. Hasse: Microcalorimetric Studies of Adsorption of Monoclonal Antibodies on Cation Exchange Resins, 1st International Symposium on Biothermodynamics, Frankfurt/Main, 16.-17.02.2006 (Poster-presentation).

M. Dieterle, D. Höhn, H. Hasse: Mikrokalorimetrische Studien der Adsorption monoklonaler Antikörper an Kationentauschern, GVC/Dechema Kongress „Industrielle Biotechnologie und Gewinnung von Produkten“, Würzburg, 22.-24.05.2006.

B. Eckl, J. Vrabec, H. Hasse: Development of new Molecular Models for Applications in Process Engineering on the Basis of Quantum Chemical Calculations, 19th International Conference on Chemical Thermodynamics, Boulder, CO, USA, 02.08.2006.

E. Geissler, H. Schoenmakers, S. Sander, C. Flisch, H. Hasse, O. Ryll: Reaktive Trennwandkolonne am Beispiel der Methylacetat-Hydrolyse, GVC/Dechema-Jahrestagungen 2006, Wiesbaden, 26.-28.09.2006.

T. Grützner, H. Hasse, N. Lang, M. Siegert, E. Ströfer: Development of a new Industrial Process for Trioxane Production, ISCRE 19, 19th International Symposium on Chemical Reaction Engineering, Potsdam, 03.-06.09.2006.

T. Grützner, N. Lang, M. Siegert, E. Ströfer, H. Hasse: Development of a new Distillation based Process for Trioxane Production, Distillation & Absorption 2006 Conference, London, UK, 04.-06.09.2006.

H. Hasse: Formaldehyd-Verfahrenstechnik (invited lecture), Wissenschaftlicher Festvortrag, 150 Jahre Chemie in Mainz, Mainz, 26.04.2006.

H. Hasse: Crossing Borders in Molecular Modeling and Simulation (invited lecture), BASF Meeting with Professors, St. Johann, 22.-25.06.2006.

H. Hasse: Verfahrenstechnische Entwicklung neuer Produkte und Prozesse für die Energietechnik (invited lecture), Seminar der Fakultät Maschinenwesen, Technische Universität München, München, 06.07.2006.

H. Hasse: Molecular Modeling and Simulation in Process Engineering (invited lecture), Industrial Fluid Property Simulation Collective Meeting, St. Paul, MN, USA, 18.-19.09.2006.

H. Hasse, B. Bessling, R. Böttcher: OPEN CHEMASIMTM: Breaking Paradigms in Process Simulation, 16th European Symposium on Computer Aided Process Engineering and 9th International Symposium on Process Systems Engineering, Garmisch-Partenkirchen, 09.-13.07.2006.

H. Hasse, M. Maiwald, O. Steinhof, W. Böttinger, T. Grützner: Hyphenated NMR-Spectroscopy in Process Engineering (invited lecture), International Hyphenation Conference, Tübingen, 26.-29.03.2006.

Y.-L. Huang, J. Vrabec, H. Hasse: Systematic Investigation of Vapor-Liquid Equilibria of Binary Mixtures on the Basis of Polar Two-Center Lennard-Jones Models, Chemical Engineering Department Seminary, National Taiwan University, Taipei, Taiwan, 02.01.2006.

M. Maiwald, H. Hasse: Online NMR-Spektroskopie in der Prozessanalytik, 2. Kolloquium "Prozessanalytik" des Arbeitskreises Prozessanalytik, GDCh-Fachgruppe Analytische Chemie, Dresden, 06.-07.11.2006.

R. Notz, N. Asprion, I. Clausen, H. Hasse: Development and Pilot Plant Testing of new Solvents for Post Combustion Carbon Dioxide Capture, Distillation & Absorption 2006 Conference, London, UK, 04.-06.09.2006.

R. Notz, I. Clausen, N. Asprion, H. Hasse: Neue Lösungsmittel für die CO2-Absorption aus Kraftwerksabgasen und Experimente im Technikumsmaßstab, GVC/Dechema Kongress „Industrielle Biotechnologie und Gewinnung von Produkten“, Würzburg, 22.-24.05.2006.

M. Ottenbacher, H. Hasse: Heteroazeotrope Dreiphasendestillation: ein Prozess zur Trennung thermisch empfindlicher Substanzen, GVC/Dechema Kongress „Industrielle Biotechnologie und Gewinnung von Produkten“, Würzburg, 22.-24.05.2006 (Poster-Präsentation).

M. Ottenbacher, H. Hasse: Continuous Three Phase Distillation: A Process for Separating Thermally Instable Substances, Distillation & Absorption 2006 Conference, London, UK, 04.-06.09.2006 (Poster-presentation).

M. Ottenbacher, H. Hasse: Continuous Three Phase Distillation: A Process for Separating Thermally Instable Substances, AIChE Annual Meeting 2006, San Francisco, CA, USA, 12.-17.11.2006.

S. Parada, M. Schmitt, S. Blagov, H. Hasse, O. Bailer, R. Weinand, K. Althaus, H. Schoenmakers: The Key to Successful Design of Heterogeneously Catalyzed Reactive Distillation is Mastering the Reaction, 19th International Symposium on Chemical Reaction Engineering, Potsdam, 03.-06.09.2006 (Poster-presentation).

O. Ryll, S. Blagov, H. Hasse: Thermodynamic Analysis of Multicomponent Distillation-Reaction Processes for Conceptual Process Design, Distillation & Absorption 2006 Conference, London, UK, 04.-06.09.2006.

S. Sander, C. Flisch, E. Geissler, H. Schoenmakers, O. Ryll, H. Hasse: The Reactive Divided Wall Column. First Pilot Test for the Hydrolysis of Methyl Acetate, Netherlands Group of Users of Separation Technologies (NL GUTS), Rotterdam, Netherlands, 09.03.2006.

S. Sander, C. Flisch, E. Geissler, H. Schoenmakers, O. Ryll, H. Hasse: Methyl Acetate Hydrolysis in a Reactive Divided Wall Column, Distillation & Absorption 2006, London, UK, 04.-06.09.2006.

T. Schnabel, J. Vrabec, H. Hasse: Molecular Modeling of Unlike Interactions in Mixtures, Seminar des Departmento de Ciencias Ambientales, Universidade Pablo de Olavide, Sevilla, Spain, 08.09.2006.

T. Schnabel, J. Vrabec, H. Hasse: Molekulare Modellierung ungleicher Wechselwirkungen in Mischungen, VDI-GVC Thermodynamik-Kolloquium, Dortmund, 05.-06.10.2006.

T. Schnabel, J. Vrabec, H. Hasse: Molecular Modeling of Hydrogen Bonding Fluids: Monomethylamine, Dimethylamine and Water Revised, High Performance Computing in Science and Engineering 2006, Stuttgart, 19.-20.10.2006 (Poster-presentation).

J. Vorholz, R. Franke, J. Vrabec, H. Hasse: Molekulare Methoden für das Prozess- und Produktdesign, GVC/Dechema-Jahrestagungen 2006, Wiesbaden, 26.-28.09.2006.

J. Vrabec, B. Eckl, Y.-L. Huang, H. Hasse: Vapor Pressure of R227ea + Ethanol at 343.17 K, AIChE Annual Meeting 2006, San Francisco, CA, USA, 12.-17.11.2006.

J. Vrabec, G. A. Fernandez, H. Hasse: Transport Properties of Anisotropic Polar Fluids by Molecular Dynamics: Systematic Study and Predictive Application to Real Fluids, 19th International Conference on Chemical Thermodynamics, Boulder, CO, USA, 01.08.2006.

J. Vrabec, H. Hasse, J. Vorholz, R. Franke: Molekulare Methoden für das Prozess- und Produktdesign, VDI-GVC Thermodynamik-Kolloquium, Dortmund, 05.-06.10.2006.

J. Vrabec, Y.-L. Huang, H. Hasse: Vapor-Liquid Equilibria of Real Mixtures with Polar Two-Center Lennard-Jones Models, 19th International Conference on Chemical Thermodynamics, Boulder, CO, USA, 01.-03.08.2006 (Poster-presentation).

J. Vrabec, T. Schnabel, B. Eckl, H. Hasse: Molecular Modeling and Simulation Methods for Calculation of Vapor-Liquid Equilibria using High Performance Computers, European Seminar on Applied Molecular Simulation, Rueil-Malmaison, France, 31.03.2006.

2005

S. Blagov, S. Parada, M. Schmitt, H. Hasse: Systematische Studien von Haupt- und Nebenreaktionen bei der heterogen katalysierten Reaktivdestillation, GVC/Dechema-Jahrestagungen, Wiesbaden, 06.-08.09.2005.

B. Eckl, J. Vrabec, H. Hasse: Entwicklung molekularer Modelle für die Verfahrenstechnik mit quantenchemischen Methoden, GVC/Dechema-Jahrestagungen, Wiesbaden, 06.-08.09.2005.

B. Eckl, J. Vrabec, H. Hasse: Parametrierung molekularer Modelle für die Verfahrenstechnik auf der Grundlage quantenchemischer Methoden, VDI-GET Thermodynamik-Kolloquium, Frankfurt/Main, 06.-07.10.2005.

G. Fernandez, J. Vrabec, H. Hasse: Vorhersage von Transporteigenschaften durch molekulare Simulation, VDI-GET Thermodynamik-Kolloquium, Frankfurt/Main, 06.-07.10.2005.

G. A. Fernandez, J. Vrabec, H. Hasse: Prediction of Transport Properties of Real Fluids by Molecular Dynamics, Thermodynamics 2005, Sesimbra, Portugal, 06.-08.04.2005.

T. Grützner, H. Hasse, N. Lang, M. Siegert, E. Ströfer: Entwicklung eines neuen, destillativen Trioxanverfahrens, Sitzung des VDI-GVC Fachausschusses „Fluidverfahrenstechnik“, Lübeck, 02.-04.03.2005.

T. Grützner, H. Hasse, N. Lang, M. Siegert, E. Ströfer: Development of a new Distillation based Process for the Production of Trioxane, AIChE Spring National Meeting, Atlanta, GA, USA, 11.-13.04.2005.

H. Hasse: Open Source Prozesssimulation – Eine Chance für die Verfahrenstechnik, GVC/Dechema-Jahrestagungen, Wiesbaden, 06.-08.09.2005.

H. Hasse, S. Blagov, S. Parada, M. Schmitt: Anwendung saurer Ionenaustauscher als heterogene Katalysatoren in der Reaktivdestillation (invited lecture), Katalyse-Seminar „Heterogene Katalysatoren auf Styrolbasis – AmberlystTM in Theorie und Praxis“, Rohm and Haas Deutschland GmbH, Wiesbaden, 30.11.2005.

H. Hasse, R. Notz, N. Asprion, I. Clausen: CO2-Abtrennung aus Kraftwerksabgasen, Invited Lecture, 594. DECHEMA-Kolloquium „Wohin mit dem CO2? – Ist die CO2-Sequestrierung ein alternativer Weg zum Klimaschutz?“, Frankfurt/Main, 10.11.2005.

R. Notz, N. Asprion, I. Clausen, H. Hasse: Methode zur Auswahl neuer Lösungsmittel für die CO2-Absorption aus Kraftwerksabgasen, GVC/Dechema-Jahrestagungen, Wiesbaden, 06.-08.09.2005.

S. Parada, S. Blagov, O. Bailer, H. Hasse: Heterogeneously Catalyzed Synthesis of n-Butyl Acetate: Reaction Kinetics, Side Reactions and Application to Reactive Distillation, AIChE Spring National Meeting, Atlanta, GA, USA, 10.-13.04.2005.

S. Parada, S. Blagov, H. Hasse, O. Bailer: Heterogen katalysierte Bildung von n-Butylacetat: Reaktionskinetik, Nebenreaktionen und Übertragung auf die Reaktivdestillation, Sitzung des VDI-GVC Fachausschusses „Fluidverfahrenstechnik“, Lübeck, 02.-04.03.2005.

F. Schaal, T. Weimer, H. Hasse: Einsatz gekühlter Membranabsorber in der Absorptionskältetechnik, Deutsche Kälte-Klima-Tagung, Würzburg, 17.-18.11.2005.

F. Schaal, T. Weimer, N. Stroh, E. Walitza, H. Mattes, H. Hasse: Membrane Contactors for Absorption Refrigeration, 10. Aachener Membran Kolloquium, Aachen, 16.-17.03.2005 (Poster-presentation).

T. Schnabel, B. Eckl, J. Vrabec, H. Hasse: New Lennard-Jones based Molecular Models of Hydrogen Bonding Fluids: Methanol, Ethanol, and Ammonia, Thermodynamics 2005, Sesimbra, Portugal, 06.-08.04.2005.

T. Schnabel, J. Vrabec, H. Hasse: Molecular Modeling of Hydrogen Bonding Fluids, High Performance Computing in Science and Engineering 2005, Stuttgart, 13.-14.10.2005.

J. Vrabec, B. Eckl, T. Schnabel, G. A. Fernandez, J. Stoll, H. Hasse: Molecular Models for Applications in Process Engineering, Chemical Engineering Department Seminary, National Taiwan University, Taipei, Taiwan, 05.01.2005.

J. Vrabec, H. Hasse: Molecular Models for the Simulation of Thermodynamic Properties, Workshop „Modern Applications of Statistical Mechanics”, Carmona, Spain, 05.04.2005.

J. Vrabec, H. Hasse: Molekulare Modellierung und Simulation thermophysikalischer Fluideigenschaften für die Verfahrenstechnik, DECHEMA-Arbeitskreis „Molekulare Modellierung und Simulation für Prozeß- und Produktdesign“, Frankfurt, 28.02.2005.

J. Vrabec, D. Mader, H. Hasse: Strömungen in nanoskaligen Geometrien mittels molekulardynamischen Simulationen, ASIM, 18th Symposium on Simulation Technique, Erlangen, 13.09.2005.

J. Vrabec, J. Stoll, T. Schnabel, G. A. Fernandez, B. Eckl, H. Hasse: Molekulare Modellierung und Simulation thermophysikalischer Fluideigenschaften für die Verfahrenstechnik, 3rd Workshop SFB 412, Stuttgart, 21.02.2005.

T. Weimer, F. Schaal, H. Hasse: Einsatz poröser Membranen in der Kältetechnik – neue Perspektiven für die Absorptionskälte, Deutscher Kälte- und Klimatechnischer Verein (DKV), Hermann-Rietschel-Institut, TU Berlin, Berlin, 29.11.2005.

2004

W. Böttinger, M. Maiwald, H. Hasse: NMR-spektroskopische Untersuchungen der Reaktivabsorption von CO2 in wässrigen Aminlösungen, NMR-Diskussionstagung „Praktische Probleme der Kernresonanzspektroskopie“ der Fachgruppe Magnetische Resonanzspektroskopie der GDCh, Universität Erlangen-Nürnberg, Erlangen, 12.-13.01.2004.

W. Böttinger, M. Maiwald, H. Hasse: NMR-spektroskopische Untersuchungen der Reaktivabsorption von CO2 in wässrigen Aminlösungen, VDI-GET Thermodynamik-Kolloqium 2004, Lutherstadt Wittenberg, 27.-28.09.2004.

S. Grob, H. Hasse: COSMO-RS in Modelling of Reaction Equilibria and Kinetics, COSMO-RS Symposium, Leverkusen, 21.-22.04.2004.

T. Grützner, H. Hasse: Löslichkeit von Formaldehyd und Trioxan in wässrigen Systemen, VDI-GET Thermodynamik-Kolloquium, Lutherstadt Wittenberg, 27.-28.09.2004.

T. Grützner, H. Hasse, N. Lang, M. Siegert, E. Ströfer: Entwicklung eines neuen Verfahrens zur Herstellung von Trioxan, VDI-GVC Jahrestagung, Karlsruhe, 12.-14.10.2004.

H. Hasse: Joining Industrial and Academic Research for Developing Hybrid Reactive Processes, Seminar DelftChemTech, Delft University of Technology, Delft, Netherlands, 04.03.2004.

H. Hasse, M. Maiwald: High Resolution NMR-Spectroscopy in Process Engineering, 26th Annual GDCh Meeting on Magnetic Resonance “Novel Applications of Magnetic Resonance to Condensed Matter”, Aachen, 28.-30.09.2004.

H. Hasse, J. Vrabec: Molekulare Modelle zur Vorhersage thermophysikalischer Eigenschaften realer Reinstoffe und Mischungen, Molekulare Modelle zur Vorhersage thermophysikalischer Eigenschaften realer Reinstoffe und Mischungen, Stuttgart, 21.06.2004.

H. Hasse, J. Vrabec, J. Stoll, G. Fernandez: Molekulare Modelle zur Vorhersage thermophysikalischer Eigenschaften von Reinstoffen und Mischungen, Seminar Theoretische Chemie, Universität Tübingen, Tübingen, 12.01.2004.

R. Köhling, H. Li, M. Maiwald, D. Höhn, K. Braun, H. Hasse: Online NMR-Experimente in überkritischen Fluiden, NMR-Diskussionstagung „Praktische Probleme der Kernresonanzspektroskopie“ der Fachgruppe Magn. Resonanzspektroskopie der GDCh, Universität Erlangen-Nürnberg, Erlangen, 12.-13.01.2004.

M. Maiwald, H. Hasse: Online NMR-Spectroscopy of Technical Samples - Challenges and Solutions, 26th Annual GDCh Meeting on Magnetic Resonance "Novel Applications of Magnetic Resonance to Condensed Matter", Aachen, 28.-30.09.2004 (Poster-presentation).

M. Maiwald, F. Zieker, H. H. Fischer, H. Hasse: Probleme bei der Quantifizierung von NMR-Signalen in technischen Mischungen, NMR-Diskussionstagung „Praktische Probleme der Kernresonanzspektroskopie“ der Fachgruppe Magnetische Resonanzspektroskopie der GDCh, Universität Erlangen-Nürnberg, Erlangen, 12.-13.01.2004.

M. Ott, H. Schoenmakers, H. Hasse: Destillation formaldehydhaltiger Mischungen: Experimente, Modellierung und Simulation, GVC Fachausschuss Fluidverfahrenstechnik, Leipzig, 01.-02.04.2004.

S. Parada, S. Blagov, O. Bailer, P. Moritz, D. Lam, R. Weinand, H. Hasse: Oberflächensulfonierte Ionentauscher vermeiden Nebenreaktionen bei der heterogen katalysierten Veresterung, VDI-GVC Jahrestagung, Karlsruhe, 12.-14.10.2004 (Poster-Präsentation).

M. Schmitt, H. Hasse, M. Klöker, E. Kenig, A. Gorak, P. Moritz: Experimentelle Untersuchung, Modellierung, Simulation und Scale-up der heterogen katalysierten Reaktivdestillation am Beispiel der Herstellung von Hexylacetat, GVC Fachausschuss Fluidverfahrenstechnik, Leipzig, 01.-02.04.2004.

J. Vrabec, G. A. Fernandez, H. Hasse: On the Predictive Power of Molecular Models for Thermodyamic Properties of Simple Real Fluids, 17th IUPAC Conference on Chemical Thermodynamics, Beijing, China, 17.08.2004.

J. Vrabec, D. Mader, H. Hasse: Molekulardynamische Simulationen von Strömungsvorgängen in nanoskaligen Geometrien, 4. Chemitz/Hamburger Colloquium (CHC) Mikro-Strömungen, Hamburg-Harburg, 11.-12.11.2004.

J. Vrabec, J. Stoll, H. Hasse: On the Predictive Power of Molecular Models for Thermodynamic Properties of Simple Real Fluids, Seminar Chemical Reaction Engineering and Thermodynamics, Delft University of Technology, Delft, Netherlands, 05.03.2004.

2003

S. Blagov, H. Hasse: Synthesis of Multicomponent Distillation Line Maps for Conceptual Distillation Process Design with inf/inf Analysis, AIChE Spring National Meeting, New Orleans, LA, USA, 30.03.-03.04.2003.

S. Blagov, H. Hasse: Analysis of Phase Stability by a Dynamic Approach, 20th European Symposium on Applied Thermodynamics, Lahnstein, 08.-12.10.2003 (Poster-presentation).

H. Fischer, M. Maiwald, K. Schilling, W. Böttinger, H. Hasse: Quantitative hochauflösende Durchfluss-NMR-Spektroskopie im Reaktions- und Prozess-Monitoring. Teil II: Anwendungen in der Verfahrenstechnik, NMR-Diskussionstagung „Praktische Probleme der Kernresonanzspektroskopie“ der Fachgruppe Magn. Resonanzspektroskopie der GDCh, Ruhr-Universität Bochum, Bochum, 13.-14.01.2003.

S. Grob, H. Hasse: Thermodynamics of Equilibria and Kinetics of Chemical Reactions in Strongly Non-ideal Systems: Experiments and Modeling of the Esterification of Acetic Acid with 1-Butanol, 4th European Congress of Chemical Engineering, Granada, Spain, 21.-25.09.2003.

S. Grob, H. Hasse: Thermodynamics of Equilibria and Kinetics of Chemical Reactions in Strongly Non-ideal Systems: Experiments and Modeling of the Esterification of Acetic Acid with 1-Butanol, 20th European Symposium on Applied Thermodynamics, Lahnstein, 08.-12.10.2003 (Poster-presentation).

M. Maiwald, H. Fischer, H. Hasse: Quantitative hochauflösende online NMR-Spektroskopie im Reaktions- und Prozess-Monitoring, DECHEMA/GVC-Jahrestagung 2003, Mannheim, 16.-18.09.2003.

M. Maiwald, H. Fischer, Y.-K. Kim, K. Albert, H. Hasse: Quantitative hochauflösende Durchfluss-NMR-Spektroskopie im Reaktions- und Prozess-Monitoring. Teil I: Grundlagen und Methoden, NMR-Diskussionstagung „Praktische Probleme der Kernresonanzspektroskopie“ der Fachgruppe Magn. Resonanzspektroskopie der GDCh, Ruhr-Universität Bochum, Bochum, 13.-14.01.2003.

B. Memminger, B. Barczewski, N. Fütterer, J. Schlüpen, L. Fürst, H. Hasse: Microemulsions – an efficient Solution for the Remediation of DNAPL-contaminated Sites - Recycling Concepts for the Additive, 8th international conference on contaminated soil, Gent, Belgium, 12.-16.05.2003.

M. Ott, H. Schoenmakers, H. Hasse: Distillation of Formaldehyde Containing Mixtures: Experiments, Modeling and Simulation, AIChE Spring National Meeting, New Orleans, LA, USA, 30.03.-03.04.2003.

M. Ott, H. Schoenmakers, H. Hasse: Distillation of Formaldehyde Containing Mixtures: Experiments, Modeling and Simulation, 4th European Congress of Chemical Engineering, Granada, Spain, 21.-25.09.2003.

K. Schilling, M. Sohn, E. Ströfer, H. Hasse: Reactive Evaporation of Formaldehyde Containing Mixtures and Process Monitoring with NMR-Spectroscopy, AIChE Spring National Meeting, New Orleans, LA, USA, 30.03.-03.04.2003.

M. Schmitt, H. Hasse, K. Althaus, H. Schoenmakers, C. v. Scala, P. Moritz: Synthesis of n-Hexyl Acetate by Reactive Distillation, Process Intensification, AIChE Spring National Meeting, New Orleans, LA, USA, 30.03.-03.04.2003.

M. Schmitt, H. Hasse, K. Althaus, H. Schoenmakers, C. v. Scala, P. Moritz: N-Hexyl Acetate Synthesis by Reactive Distillation – Experiments and Simulation, International Symposium on Multifunctional Reactors (ISMR-3), University of Bath, Bath, UK, 27.-30.08.2003.

J. Vrabec, H. Hasse: Grand Equilibrium: Vapor-Liquid Equilibria by a new Simulation Method, Thermodynamics 2003, Cambridge, UK, 09.-11.04.2003.

J. Vrabec, J. Stoll, H. Hasse: Molecular Simulation of Thermodynamic Properties of Real Fluids, International Workshop des DFG-Sonderforschungsbereichs 412 „Computer Aided Modeling and Simulation for Analysis, Synthesis and Operation in Process Engineering“, Stuttgart, 27.-28.02.2003.

J. Vrabec, J. Stoll, H. Hasse: Molekulare Modelle thermophysikalischer Eigenschaften für die Verfahrenstechnik, ACHEMA 2003, Frankfurt, 19.-24.05.2003.

J. Vrabec, J. Stoll, H. Hasse: On the Predictive Power of Molecular Models for Thermodynamic Properties of Simple Real Fluids, DECHEMA/GVC-Jahrestagung 2003, Mannheim, 16.-18.09.2003.

J. Vrabec, J. Stoll, H. Hasse: On the Predictive Power of Molecular Models for Thermodynamic Properties of Simple Real Fluids, 20th European Symposium on Applied Thermodynamics, Lahnstein, 08.-12.10.2003.

2002

A. Beier, M. Ottenbacher, K. Stephan, H. Hasse: Auswirkungen von Mehrphasenzerfällen auf technische Prozesse am Beispiel der Hochdruckextraktion, GVC Fachausschuss Hochdruck-Verfahrenstechnik, Bochum, 07.-08.03.2002.

A. Beier, K. Stephan, J. Kuranov, H. Hasse: High-pressure Multiphase-Equilibria: Fundamentals and Effects on Supercritical Fluid Extraction, Russian Conference on Chemical Thermodynamics with International Participation, St. Petersburg, Russia, 01.-05.07.2002.

H. Hasse: Thermodynamik und Kinetik formaldehydhaltiger Mischungen: Experimente, Modellierung und Anwendung in der Verfahrensentwicklung, Fachkolloquium Verfahrensentwicklung, BASF AG, Ludwigshafen, 25.04.2002.

M. Maiwald, H. Fischer, K. Albert, H. Hasse: Quantitative Durchfluss-NMR-Spektroskopie im Reaktions- und Prozess-Monitoring, 101. Bunsentagung, Kern- und Elektronenspins als dynamische und kinetische Sonden, Potsdam, 09.-11.05.2002 (Poster-Präsentation).

M. Maiwald, H. Fischer, Y.-K. Kim, H. Hasse: Applied Quantitative Online NMR-Spectroscopy for Reaction and Process Monitoring, 7. Stuttgarter Tag der Magnetischen Resonanz, Stuttgart, 11.04.2002.

M. Maiwald, H. Fischer, Y.-K. Kim, H. Hasse: Quantitative Online High-Resolution NMR-Spectroscopy in Process Engineering Applications, Euroanalysis Dortmund, 12.-13.09.2002.

M. Maiwald, H. Fischer, Y.-K. Kim, H. Hasse: Quantitative hochauflösende Online NMR-Spektroskopie in der Verfahrenstechnik, Varian NMR Usermeeting 2002, Darmstadt, 24.-25.10.2002.

M. Maiwald, H. Fischer, M. Ott, H. Hasse: Quantitative Online NMR-Spectroscopy for Studies of Chemical Equilibria and Reaction Kinetics in Complex Mixtures Formaldehyde—Water—Methanol at Temperatures up to 383 K, 17th IUPAC Conference on Chemical Thermodynamics (ICCT 2002), Rostock, 28.07.-02.08.2002.

M. Ottenbacher, A. Beier: Theoretical and Experimental Studies on a Liquid-Liquid Extraction Process with Three Phase Split, Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr, 22.01.2002.

K. Schilling, H. Hasse, M. Sohn, E. Ströfer: Reaktive Verdampfung formaldehydhaltiger Mischungen und Process Monitoring mit Online-NMR-Spektroskopie, Plenarsitzung der GVC Fachausschüsse „Thermische Zerlegung von Gas- und Flüssigkeitgemischen“, „Adsorption“ und „Extraktion", Bingen, 11.04.2002.

M. Schmitt, H. Hasse, K. Althaus, H. Schoenmakers, L. Götze, P. Moritz: Synthesis of n-Hexyl Acetate by Reactive Distillation, International Conference on Distillation & Absorption, Baden-Baden, 30.09.-02.10.2002.

J. Stoll, J. Vrabec, H. Hasse: Molecular Models for Accurate Calculation of Thermophysical Properties of Pure Fluids and Mixtures from Molecular Simulation, Russian Conference on Chemical Thermodynamics with International Participation, St. Petersburg, Russia, 01.-05.07.2002.

J. Stoll, J. Vrabec, H. Hasse: Grand Equilibrium and Molecular Models for Accurate Simulation of Vapour-liquid Equilibria of Mixtures, 17th IUPAC Conference on Chemical Thermodynamics (ICCT 2002), Rostock, 28.07.-02.08.2002.

J. Stoll, J. Vrabec, H. Hasse: Grand Equilibrium: Eine neue Methode zur Berechnung von fluiden Phasengleichgewichten, GVC Fachausschuss Thermodynamik, Wernigerode, 08.10.2002.

E. Ströfer, H. Hasse, K. Schilling, M. Sohn: The CH2O Building Block: Reactive Evaporation of Mixtures Containing Formaldehyde, Kolloquium des Departments Chemical Engineering der National Cheng Kung University, Tainan, Taiwan R.O.C., 13.12.2002.

2001

A. Beier, K. Stephan, H. Hasse: Hochdruck-Mehrphasengleichgewichte: Grundlagen und Anwendungen auf technische Prozesse, GVC Fachausschuss Thermodynamik, Würzburg, 08.-09.10.2001.

S. Blagov, H. Hasse: Topological Analysis of Phase Diagrams for Separation Process Design, 76th International Bunsen Discussion Meeting "Global Phase Diagrams", Walberberg, 19.-22.08.2001.

H. Hasse: NMR-Spektroskopie in der Verfahrenstechnik, DFG Workshop „Anwendungen der NMR-Meßtechnik in den Ingenieurwissenschaften“, Bad Herrenalb, 04.-05.04.2001.

H. Hasse: Anwendungen der Spektroskopie in der Verfahrenstechnik, Gesellschaft Deutscher Chemiker - Kolloquium an der Universität Rostock, Rostock, 31.05.2001.

H. Hasse: Thermodynamics of Reactive Separations, 1st International MPI-Magdeburg Workshop on Reactive Distillation, Magdeburg, 02.-03.07.2001.

M. Maiwald, H. Fischer, H. Hasse: NMR-Spektroskopie chemisch reagierender Mischungen, DFG Workshop „Anwendungen der NMR-Messtechnik in den Ingenieurwissenschaften“, Bad Herrenalb, 04.-05.04.2001.

P. Moritz, S. Blagov, H. Hasse: Reactive Distillation Process Design and Scale-up, 3rd European Congress on Chemical Engineering (ECCE-3), Nürnberg, 26.-28.06.2001.

P. Moritz, S. Blagov, H. Hasse: Reactive Distillation Process Design and Scale-up, AIChE Annual Meeting 2001, Reno, NV, USA, 04.-09.11.2001.

J. Stoll, J. Vrabec, H. Hasse: Dampf-Flüssigkeits-Gleichgewichte realer binärer und ternärer Mischungen quadrupolarer Fluide mittels molekularer Simulation, 100. Hauptversammlung der Deutschen Bunsen-Gesellschaft für Physikalische Chemie e.V., Stuttgart, 24.-26.05.2001 (Poster-Präsentation).

J. Stoll, J. Vrabec, H. Hasse: Molekulare Simulation von Dampf-Flüssigkeits Gleichgewichten realer binärer und ternärer Mischungen, GVC Fachausschuss Thermodynamik, Würzburg, 08.-09.10.2001.

J. Vrabec, H. Hasse: Molecular Simulation of Thermodynamic Properties of pure Fluids and Mixtures: Model Development and Visualization, Modelling and Computation in Chemical and Process Engineering and Biotechnology, Hohenwart, 01.-04.10.2001.

J. Vrabec, J. Stoll, H. Hasse: A Lennard-Jones based Family of potential Models for accurate Simulations of Thermodynamic Properties of pure Fluids and Mixtures, Physics of Liquid Matter: Modern Problems, Conference, Kiev, Ukraine, 14.-19.09.2001.

J. Vrabec, J. Stoll, H. Hasse: A Lennard-Jones based Family of potential Models for accurate Simulations of Thermodynamic Properties of pure Fluids and Mixtures, AIChE Annual Meeting 2001, Reno, NV, USA, 04.-09.11.2001.

J. Vrabec, J. Stoll, H. Hasse: Dampf-Flüssigkeits Gleichgewichte realer binärer und ternärer Mischungen quadrupolarer Fluide mittles molekularer Simulation, 100. Hauptversammlung der Deutschen Bunsengesellschaft, Stuttgart, 25.05.2001 (Poster-Präsentation).

2000

S. Blagov, H. Hasse: Topologische Strukturen des Dampf-Flüssigkeits Gleichgewichts quaternärer Mischungen, GVC Fachausschuß Thermodynamik, Frankfurt/Main, 05.-06.10.2000.

S. Blagov, H. Hasse: Topological Structures of Vapor-Liquid Equilibria in Quarternary Mixtures, Kolloquium der Fakultät Chemietechnik der Universität Dortmund, Dortmund, 18.10.2000.

P. Moritz, S. Blagov, H. Hasse: Scale-up der Reaktivdestillationspackung KATAPAKR-S, GVC Fachausschuss Thermische Zerlegung von Gas- und Flüssigkeitgemischen, Wernigerode, 05.-07.04.2000.

P. Moritz, S. Blagov, H. Hasse: Scale-up of Reactive Distillation with KATAPAKR-S, European Federation of Chemical Engineering Working Party on Distillation, Absorption and Extraction, Technical Meeting, Winterthur, Switzerland, 04.05.2000.

J. Vrabec, J. Stoll, J. Fischer, H. Hasse: Dampf-Flüssig-Phasengleichgewichte quadrupolarer Zwei-Zentren-Lennard-Jones-Fluide, GVC Fachausschuss Thermodynamik, Frankfurt/Main, 05.-06.10.2000.

J. Vrabec, J. Stoll, H. Hasse: Molecular Simulation of Phase Equilibria of Real Fluids, Kolloquium des Departments Chemical Engineering der National Cheng Kung University, Tainan, Taiwan, R.O.C., 25.02.2000.

1999

H. Hasse: Überlagerung von Reaktion und Destillation: Grundlagen, Konzepte und Scale-up, Max-Planck-Institut für Dynamik komplexer technischer Systeme, Magdeburg, 02.06.1999.

H. Hasse: Überlagerung von Reaktion und Destillation: Grundlagen, Konzepte und Scale-up, Kolloquium der Fakultät Chemieingenieurwesen der Universität Karlsruhe (TH), Karlsruhe, 29.06.1999.

M. Kettler, J. Stoll, J. Vrabec, H. Hasse: Simulation of Phase Equilibria of Real Fluids, Workshop des DFG-Sonderforschungsbereichs 412: „Modeling, Simulation and Design in Process Engineering“, Stuttgart, 11.-12.10.1999.

P. Moritz, H. Hasse: Fluid Dynamics in Reactive Distillation Packing KATAPAKR-S, 1st International Symposium on Multifunctional Reactors, Amsterdam, Netherlands, 26.-28.04.1999.

P. Moritz, H. Hasse: Fluiddynamik der Reaktivdestillationspackung KATAPAKR-S, GVC Fachausschuss Thermische Zerlegung von Gas- und Flüssigkeitgemischen, Münster, 05.-07.05.1999.

1998

H. Bäder, B. Beßling, W. Hültenschmidt, S. Blagov, H. Hasse: Modellierung des Reaktionsgleichgewichts von Flüssigphasenveresterungen mit Aktivitäten, GVC Fachausschuss Thermodynamik, Leipzig, 05.-06.10.1998.

1997

B. Beßling, H. Hasse, H. Schoenmakers, S. Blagov: Vergleich konventioneller und hybrider Verfahren für Systeme mit irreversiblen Reaktionen, Jahrestagung der VDI-Gesellschaft Verfahrenstechnik und Chemieingenieurwesen GVC, Dresden, 24.- 26.09.1997.

B. Beßling, H. Hasse, H. Schoenmakers, S. Blagov: Vergleich konventioneller und hybrider Verfahren für Systeme mit irreversiblen Reaktionen, GVC Fachausschuß Thermische Zerlegung von Gas- und Flüssigkeitsgemischen, Wiesbaden, 10.-11.04.1997.

H. Hasse: Einsatz spektroskopischer Methoden zur Bestimmung thermodynamischer Eigenschaften, DFG-Workshop Einsatz spektroskopischer Methoden zur Untersuchung der Stoffeigenschaften komplexer Gemische, Göttingen, 24.-25.02.1997.

H. P. Kany, H. Hasse, G. Maurer: Thermodynamische Eigenschaften wässriger Polymerlösungen, GVC Fachausschuss Thermodynamik, Frankfurt/Main, 06.-08.10.1997.

I. Lunt-Rieg, H. Wendeler, H. Hasse: Anwendbarkeit von Stoffdatenmodellen zur Beschreibung von formaldehydhaltigen Gemischen in der Industrie, GVC Fachausschuss Thermodynamik, Frankfurt/Main, 06.-08.10.1997.

1996

H. Hasse: Phasengleichgewichte und kritische Phänomene bei hohen Drücken, Habilitationsvortrag, Universität Kaiserslautern, 14.02.1996.

H. Hasse: Thermodynamische Eigenschaften assoziierender, solvatisierender und chemisch reagierender Mischungen. Experimentelle Untersuchung, Modellierung und Anwendung der Ergebnisse, Antrittsvorlesung, Universität Kaiserslautern, 05.06.1996.

H. Hasse: Anwendungen der Spektroskopie in thermodynamischen Untersuchungen fluider Mischungen, Verfahrenstechnisches Kolloquium, Universität Stuttgart, 27.11.1996.

H. Hasse, G. Maurer: Anwendungen der Spektroskopie in thermodynamischen Untersuchungen fluider Mischungen, Jahrestagung der VDI-Gesellschaft Verfahrenstechnik und Chemieingenieurwesen GVC, Dortmund, 25.-27.09.1996.

1994

H. P. Kany, H. Hasse, G. Maurer: Bestimmung von Stoffeigenschaften wässriger Poly(ethylenglykol) Lösungen durch Kombination der Laserlichtstreuphotometrie und isopiestischen Messungen, GVC Fachausschußsitzung 'Thermodynamik' und 'Thermodynamik Kolloquium' der VDI-Gesellschaft Energietechnik (VDI-GET), Kaiserslautern, 04.-06.10.1994.

M. Wendland, H. Hasse, G. Maurer: High-pressure Multiphase Equilibria: Basic Data for the Design of new Separation Processes, 12th Symposium on Thermophysical Properties, Boulder, CO, USA, 19.-24.06.1994.

M. Wendland, H. Hasse, G. Maurer: High-pressure Multiphase Equilibria in Systems Gas - Water - Polar Solvent: Basic Data for the Design of new Separation Processes, 3rd International Symposium on Supercritical Fluids, Strasbourg, France 17.-19.10.1994.

1993

M. Wendland, H. Hasse, G. Maurer: Experimentelle Untersuchung von Mehrphasengleichgewichten im System Kohlendioxid Wasser-Isopropanol, Arbeitssitzung des Fachausschusses 'Hochdruck-Verfahrenstechnik' der VDI-Gesellschaft Verfahrenstechnik und Chemieingenieurwesen GVC, Bochum, 04.-05.03.1993.

1992

M. Becker, H. Hasse, P. Kosack, G. Maurer, H. Scherer: Thermodynamisches Modell zur Simulation dynamischer Vorgänge im gekoppelten System Kälteanlage/Kühlraum, 19. Jahrestagung des Deutschen Kälte- und Klimatechnischen Vereins, Bremen, 18.-19.11.1992.

H. Hasse, G. Maurer: Thermodynamic Properties of Formaldehyde Containing Mixtures for Separation Process Design, AIChE Spring Meeting, New Orleans, LA, USA, 29.03.-02.04.1992.

1990

H. Hasse, G. Maurer: Vapor-Liquid Equilibria, Heats of Mixing and Heats of Vaporization of Complex Mixtures: Aqueous Formaldehyde Solutions, International congress of chemical and process engineering, Prague, Czech Republic, 26.-31.08.1990.

1989

H. Hasse, G. Maurer: Dampf-Flüssigkeits Gleichgewichte und Wärmetönungen in wässrigen Formaldehydlösungen, Thermodynamik Kolloquium der VDI-Gesellschaft (VDI-GET), Trier, 02.-03.10.1989.

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