Lehrstuhl für Thermodynamik (LTD)

Wissenschaftlicher Mitarbeiter

M. Sc. Aditya Kulkarni

FB Maschinenbau und Verfahrenstechnik
Lehrstuhl für Thermodynamik
Technische Universität Kaiserslautern
Erwin-Schrödinger-Straße 44
Gebäude 44/556
67663 Kaiserslautern
Tel.: +49(0)631 205-5587
Fax: +49(0)631 205-3835
E-Mail: aditya.kulkarni(at)mv.uni-kl.de

Projektbeschreibung

Molecular Simulations is an important tool to obtain thermophysical properties of substances, when experiments are unfeasible. My work involves use of molecular simulations to obtain Vapour-Liquid Equilibrium (VLE) properties of various substances.

Accurate prediction of thermodynamic properties by molecular simulations requires an accurate molecular model. Parameters of molecular models are developed by fitting simulation results to experimental data of different types, at different temperatures. This results in a multi-criteria optimisation problem, as multiple parameters can be adjusted to reproduce different types of experimental data. My current project involves finding the Pareto front of molecular models of water, considering the VLE properties as target. Gaussian process regression (Kriging) is used to interpolate the simulation results. This reduces the number of simulations, which are costly. The Pareto front is then calculated.

Vorlesungsbetreuung / Sprechzeiten

Vorlesungsbetreuung

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Sprechzeiten

Nach Vereinbarung

Veröffentlichungen / Vorträge / Poster

Veröffentlichungen

  • A. Kulkarni, E. J. Garcia, A. Damone, M. Schappals, S. Stephan, M. Kohns, H. Hasse: A Force Field for Poly(oxymethylene) Dimethyl Ethers (OMEn), J. Chem. Theory. Comput. 16 (2020) 2517-2528 [doi]

     

  • A. Kulkarni, M. Bortz, K.-H. Küfer, M. Kohns, H. Hasse: Multi-criteria optimisation of molecular models of water using a reduced units approach, J. Chem. Theory Comput. 16 (2020) 5127-5138. [doi]

  • A. Kulkarni, R. Fingerhut, M. Kohns, H. Hasse, J. Vrabec: Correction to "Molecular Modeling and Simulation of Vapor-Liquid Equilibria of Ethylene Oxide, Ethylene Glycol, and Water as well as their Binary Mixtures", Ind. Eng. Chem. Res. 59 (2020) 20232-20234. [doi]

  • E. Forte, A. Kulkarni, J. Burger, M. Bortz, K.-H. Küfer, H. Hasse: Multi-criteria Optimization for Parametrizing Excess Gibbs Energy Models, Fluid Ph. Equilibria 522 (2020) 112676. [doi]

Vorträge

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Poster

  • A. M. Kulkarni, Edder. J. Garcia, S. Stephan, A. Damone, M. Kohns, H. Hasse: A transferable force field for Poly(oxymethylene) Dimethyl Ethers, Thermodynamik-Kolloquium, 26.-28. September 2018, Kassel, Germany.
  • A. M. Kulkarni, M. Kohns, M. Bortz, H. Hasse: Pareto optimisation of molecular models of water using a Reduced Units Approach, Thermodynamik-Kolloquium, 30.09-02.10.2019, Duisburg, Germany.
  • A. M. Kulkarni, M. Bortz, K.-H. Küfer, M. Kohns, H. Hasse: Multi-criteria optimisation and dimensionless quantities: Applications in thermodynamics, 4th Indo-German workshop on advances in materials, reaction & separation processes, 23.02-26.02.2020, Berlin, Germany.

Werdegang

07/2009 - 05/2013Bachelor of Engineering (Mechanical), University of Pune, India
10/2013 - 07/2015Project Assistant, Homi Bhabha Centre for Science Education - Tata Institute of Fundamental Research, Mumbai, India
09/2015 - 09/2017Master of Science in Mechanical Engineering, University of Massachusetts Amherst, USA

Masters Thesis: Non-Equispaced Fast Fourier Transforms in turbulence Simulation

Since 10/2017Scientific Staff at Laboratory of Engineering Thermodynamics (LTD), Technische Universität Kaiserslautern
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