Vorträge
J. Vrabec, T. Janzen, G. Guevara-Carrion and Y. M. Muñoz-Muñoz:
Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene and carbon tetrachloride,
International Conference PLMMP-2016, Kyiv, Ukraine, May 29, 2016.
J. Vrabec:
Atomistic molecular simulations for engineering applications: methods, tools and results,
SCEJ, 81st Annual Meeting, Osaka, Japan, March 14, 2016.
T. Janzen, G. Guevara-Carrion, Y. M. Muñoz-Muñoz, J. Vrabec:
Diffusionskoeffizienten in binären und ternären flüssigen Mischungen aus molekularer Simulation,
Jahrestreffen der ProcessNet-Fachgruppe Wärme- und Stoffübertragung, Kassel, Germany, March 2, 2016.
G. Sonnenrein, E. Baumhögger , A. Elsner , K. Fieback , K. Lessmann , A. Morbach , J. Vrabec:
Effizienzsteigerung von Haushaltskühlgeräten durch polymergebundene Phasenwechselmaterialien,
DKV-Jahrestagung 2015, Dresden, Germany, November 19, 2015.
A. Elsner, J. Härlen:
Der „Global Standard“ - die neue Norm IEC 62552 zur Prüfung von Haushaltskältegeräten,
DKV-Jahrestagung 2015, Dresden, Germany, November 19, 2015.
F.H. Dubberke, K.-P. Priebe, J. Vrabec, M. Rödder and M. Neef:
Thermodynamic simulation and experimental validiation of a cascaded two-stage Organic Rankine Cycle,
ASME ORC 2015, Brussels, Belgium, October 14, 2015.
A. Köster, T. Jiang, G. Rutkai, C. W. Glass and J. Vrabec:
Fully automatized determination of Fundamental Equations of State based on molecular simulations in the cloud,
CAPE Forum 2015, Paderborn, Germany, April 29, 2015.
G. Sonnenrein, A. Elsner, K. Fieback, K. Lessmann, A. Morbach, J. Vrabec:
Effizienzsteigerung von Haushaltskühlgeräten durch polymergebundene Phasenwechselmaterialien,
Thermodynamik Kolloquium 2014, Stuttgart, Germany, September 23, 2014.
A. Elsner, A. Paul, M. Müller, J. Vrabec:
Zunahme des Stromverbrauchs von Haushaltskältegeräten durch Alterung,
DKV-Jahrestagung 2013, Hannover, Germany, November 21, 2013.
S. Werth, G. Rutkai, J. Vrabec, M. Horsch and H. Hasse:
Vorhersage der Oberflächenspannung von Reinstoffen und Mischungen mittels molekularer Simulation,
Thermodynamik Kolloquium 2013, Hamburg, Germany, October 9, 2013.
F. Dubberke, E. Baumhögger and J. Vrabec:
Optimierung der Puls-Echo-Methode zur Messung der Schallgeschwindigkeit durch Signalaufbereitung und Pulsdesign,
Thermodynamik Kolloquium 2013, Hamburg, Germany, October 9, 2013.
S. Miroshnichenko, T. Grützner, D. Staak and J. Vrabec:
Molekulare Modellierung und Simulation von Dampf-Flüssigkeits Gleichgewichten sicherheitsrelevanter Mischungen,
Thermodynamik Kolloquium 2013, Hamburg, Germany, October 9, 2013.
G. Rutkai, M. Thol, R. Span, R. Lustig and J. Vrabec:
Fundamental Equations of State Based of Hybrid Data,
International Workshop Molecular Modeling an Simulation: Natural Science meets Engineering, Frankfurt, Germany, March 12, 2013.
C.-M. Hsieh, T. Merker, S.-T. Lin, H. Hasse and J. Vrabec:
Fluid phase coexistence for the oxidation of cyclohexane in Co2 expanded liquids: CoSmo-SaC vs. molecular simulation,
Jahrestreffen der Fachgemeinschaft Fluiddynamik und Trenntechnik, Würzburg, Germany, September 27, 2013.
C.-M. Hsieh, T. Merker, S.-T. Lin, H. Hasse and J. Vrabec:
Fluid phase coexistence for the oxidation of cyclohexane in CO2 expanded liquids: COSMO-SAC vs. molecular simulation,
International Workshop Molecular Modeling an Simulation: Natural Science meets Engineering, Frankfurt, Germany, March 12, 2013.
H. Hasse, M. Horsch and J. Vrabec:
Molecular Modeling and Simulation of Phase Equilibria for Chemical Engineering,
InPROMT 2012, Berlin, Germany, November 16, 2012.
T. Windmann, A. Köster and J. Vrabec:
Study on vapor-liquid equilibria of nitrogen + acetone and oxygen + acetone with a focus on the extended critical region,
Thermodynamik-Kolloquium, Potsdam, Germany, October 10, 2012.
J. Vrabec:
Atomistic molecular simulations for engineering applications: methods, tools and results,
Thermodynamik-Kolloquium, Potsdam, Germany, October 9, 2012.
S. Reiser, S. Deublein, J. Vrabec and H. Hasse:
Molekulare Simulation von Ionen in wässrigen und nichtwässrigen Elektrolytlösungen,
ProcessNet Jahrestagung, Karlsruhe, September 10, 2012.
T. Steinle, A. Walther and J. Vrabec:
Dynamic Simulation of Particle-Filled Hollow Spheres,
83rd Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM), Darmstadt, Germany, March 27, 2012.
S. Deublein, S. Reiser, J. Vrabec and H. Hasse:
Molecular Simulation of Aqueous Electrolyte Solutions,
InMoTher 2012, Lyon, France, March 19, 2012.
S. Eckelsbach, Z. Wie, T. Windmann and J. Vrabec:
Molecular dynamics simulation of liquid-liquid equilibria using molecular models adjusted to vapor-liquid equilibrium data,
83rd Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM), Darmstadt, Germany, March 27, 2012.
M. Horsch, H. Frentrup, C. Avendaño Jiménez, A. M. Torres, A. Salih, J. Vrabec, E. Müller and H. Hasse:
Non-equilibrium molecular dynamics simulation of real fluids in nanoporous materials,
InMoTher 2012, Lyon, France, March 19, 2012.
H. Hasse, M. Horsch and J. Vrabec:
Molekulare Kraftfeldmodelle für Anwendungen in der Reaktionstechnik,
Molekulare Modellierung in der Reaktionstechnik, 693. DECHEMA-Kolloquium, Frankfurt, Germany, March 1, 2012.
J. Vrabec, H.-J. Bungartz, H. Hasse, F.-J. Pfreundt and M. Resch:
Innovative HPC-Methoden und Einsatz für hochskalierbare Molekulare Simulation (IMEMO),
HPC-Status-Konferenz der Gauß-Allianz, Darmstadt, Germany, December 5, 2011.
G. Rutkai, M. Thol, R. Span, R. Lustig and J. Vrabec:
Molecular Simulation Strategies for Large Scale Thermodynamic Data Generation,
AIChE Annual Meeting 2011, Minneapolis, USA, October 16, 2011.
S. Deublein, S. Reiser, J. Vrabec and H. Hasse:
Molekulare Simulationen wässriger Elektrolytlösungen,
Thermodynamik-Kolloquium, Frankfurt, Germany, October 5, 2011.
M. Horsch, J. Vrabec and H. Hasse:
Molekulare Simulation gekrümmter Grenzflächen von Fluiden,
Thermodynamik-Kolloquium, Frankfurt, Germany, October 5, 2011.
G.Rutkai, M. Thol, R. Span, R. Lustig and J. Vrabec:
Molecular Simulation Strategies for Large Scale Thermodynamic Data Generation,
Thermodynamik-Kolloquium, Frankfurt, Germany, October 5, 2011.
F. Dubberke and J. Vrabec:
Speed of sound of Hexamethyldisiloxane as working fluids for organic rankine cycles,
First International Conference on ORC Power Systems, Delft, Netherlands, September 23, 2011.
T. Merker, J. Vrabec and 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, August 31, 2011.
M. T. Horsch, S. Eckelsbach, H. Hasse, G. Jackson, E. A. Müller, G. Reina and J. Vrabec:
Dependence of the surface tension on curvature,
Thermodynamics 2011, Athens, Greece, August 31, 2011.
G. Rutkai, R. Lustig and J. Vrabec:
Molecular Simulation Strategies for Large Scale Thermodynamic Data Generation,
Thermodynamics 2011, Athens, Greece, August 31, 2011.
S. Deublein, S. Reiser, J. Vrabec and H. Hasse:
Molecular Simulation of Aqueous Electrolyte Solutions - New Models for Monovalent Cations and Anions,
Thermodynamics 2011, Athens, Greece, August 31, 2011.
T. Merker, J. Walter, V. Ermatchkov, J. Vrabec, and H. Hasse:
Molecular Simulation Study of the Volume Transition of Hydrogels,
AIChE Annual Meeting 2010, Salt Lake City, UT, USA, November 10, 2010.
T. Merker, G. Guevara-Carrion, J. Vrabec, and H. Hasse:
Prediction of Transport Properties of Hydrogen Bonding Liquids by Molecular Simulation,
AIChE Annual Meeting 2010, Salt Lake City, UT, USA, November 8, 2010.
T. Köddermann, K.N. Kirschner, J. Vrabec, M. Hülsmann and D. Reith:
Liquid-Liquid Equilibria of C8H18O3 and H2O by Molecular Dynamics,
AIChE 2010 Annual Meeting, Salt Lake City, USA, November 9, 2010.
M. Horsch, H. Hasse and J. Vrabec:
Surface property corrected modification of the classical nucleation theory,
Collaborative Computational Project 5 (CCP5) Annual Conference 2010, Sheffield Hallam University, Great Britain, September 15, 2010.
M. Bernreuther, H. Hasse, M. Horsch, Z. Lin, S. Miroshnichenko, C. Niethammer and 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, Germany, June 22, 2010.
M. Horsch, S. Miroshnichenko, S. Olma, Z. Wei, A. Zibart and J. Vrabec:
The curved vapor-liquid interface of the Lennard-Jones fluid,
Physics of Liquid Matter: Modern Problems, 5th International Conference, Kyiv, Ukraine, May 23, 2010.
H. Hasse and J. Vrabec:
Molecular Modeling and Simulation of Thermodynamic Properties of Fluids for Industrial Applications,
Twelfth International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD 2010), Suzhou, China, May 17, 2010.
J. Vrabec, S. Deublein, G. Guevara, T. Merker, H. Hasse, C. W. Glass, and M. Bernreuther:
ms2: a molecular simulation tool for thermodynamic properties,
Joint Session of the ProcessNet Working Party “Molecular Modelling and Simulation for Process and Product Design” and the EFCE Working Party on Thermodynamics and Transport Properties, Würzburg, Germany, March 23, 2010.
Y.-L. Huang, J. Vrabec, M. Heilig, and H. Hasse:
Molecular modelling and simulation of vapor-liquid equilibria of toxic fluids for process engineering applications,
Joint Session of the ProcessNet Working Party “Molecular Modelling and Simulation for Process and Product Design” and the EFCE Working Party on Thermodynamics and Transport Properties, Würzburg, Germany, March 23, 2010.
J. Walter, J. Vrabec, and H. Hasse:
Molecular Simulation study of the volume transition of hydrogels,
Joint Session of the ProcessNet Working Party "Molecular Modelling and Simulation for Process and Product Design" and the EFCE Working Party on Thermodynamics and Transport Properties, Würzburg, March 23, 2010.
J. Vrabec, M. Horsch, S. Miroshnichenko, M. Bernreuther, and H. Hasse:
Steady-state molecular dynamics simulation of nucleation and droplet surface properties in a supersaturated vapor,
Joint Session of the ProcessNet Working Party “Molecular Modelling and Simulation for Process and Product Design” and the EFCE Working Party on Thermodynamics and Transport Properties, Würzburg, Germany, March 22, 2010.
J. Walter, V. Ermatchkov, J. Vrabec, and H. Hasse:
Molecular Simulation Study of the Volume Transition of Hydrogels,
Deutsche Physikalische Gesellschaft Spring Meeting 2010 of the Condensed Matter Section, Regensburg, March 22, 2010.
J. Walter, J. Vrabec and 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 – EQUIFASE 2009, Praia de Rocha, Portugal, October 18, 2009.
M. Horsch, M. Heitzig, T. Merker, T. Schnabel, Y.-L. Huang, H. Hasse and J. Vrabec:
Molecular modeling of hydrogen bonding fluids: vapor-liquid coexistence and interfacial properties,
High Performance Computing in Science and Engineering 2009, Stuttgart, Germany, October 8, 2009.
T. Merker, J. Vrabec and H. Hasse:
Experimentelle Untersuchung und molekulardynamische Simulation thermodynamischer Eigenschaften von Mischungen bei der heterogen katalysierten Selektivoxidation von Cyclohexanin Kohlendioxid-expandierten Lösungen,
VDI-GVC-Fachausschußsitzung "Thermodynamik", Berlin, Germany, October 6, 2009.
K. Leonhard, V. N. Nguyen, S. Korden, J. Vrabec and J. Gross:
Einfluss der Orientierung zwischen Multipolen und Molekülgeometrie auf Eigenschaften von Flüssigkeiten,
VDI-GVC-Fachausschußsitzung "Thermodynamik", Berlin, Germany, October 6, 2009.
M. Horsch, H. Hasse and J. Vrabec:
Steady state molecular dynamics simulation of vapour to liquid nucleation,
Thermodynamics 2009, London, Great Britain, September 24, 2009.M.
Horsch and J. Vrabec:
Molekulardynamik-Simulation realer Fluide in Nanokanälen,
DFG-Sonderforschungsbereich 716, Markt Irsee, Germany, September 21, 2009.
M. Horsch, J. Vrabec, M. Bernreuther and 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, September 14, 2009.
H. Hasse , J. Vrabec and H.-J. Bungartz:
High-Performance Computing in der Verfahrenstechnik, Tandemvortrag,
ProcessNet Jahrestagung, Mannheim, Germany, September 10, 2009.
G. Guevara-Carrión, J. Vrabec, C. Nieto-Draghi and H. Hasse:
Transportkoeffizienten von Alkoholen und Wasser: Molekulare Simulation und Messungen mit der Taylor-Dispersions Methode,
ProcessNet Jahrestagung, Mannheim, Germany, September 10, 2009.
G. Guevara-Carrion, J. Vrabec and H. Hasse:
Transport Properties of Hydrogen Bonding Liquids: Molecular Simulation and Taylor Dispersion Measurements,
8th World Congress of Chemical Engineering, Montreal, Canada, August 26, 2009.
M. Horsch and J. Vrabec:
Steady-state simulation of homogeneous vapor-liquid nucleation “by the intervention of intelligent beings“,
18th International Conference on Nucleation & Atmospheric Aerosols, Prague, Czech Republic, August 14, 2009.
A. Aures, J. Gross, S. J. Korden, K. Leonhard, V. N. Nguyen and J. Vrabec:
Orientational Effects of Multipoles on Simple Fluids,
24th European Symposium on Applied Thermodynamics, Santiago de Compostela, Spain, June 29, 2009.
G. Guevara-Carrión, J. Vrabec, C. Nieto-Draghi and H. Hasse:
Transport properties of hydrogen bonding liquids: Molecular simulation and Taylor dispersion measurements,
24th European Symposium on Applied Thermodynamics, Santiago de Compostela, Spain, June 29, 2009.
J. Vrabec, S. Miroshnichenko and M. Horsch:
Steady-state molecular dynamics simulation of vapour to liquid nucleation with McDonald’s dæmon,
Statistical Physics: Modern Trends and Applications, L’viv, Ukraine, June 25, 2009.
M. Horsch and H. Hasse, J. Vrabec:
Grand canonical molecular dynamics simulation of homogeneous nucleation,
BCNucleation-Aggregation Workshop, Department de Física Fonamental, Universitat de Barcelona, Spain, June 18, 2009.
H. Hasse and J. Vrabec:
Development of Molecular Models of Real Fluids for Process Engineering Applications,
DFG Priority Program 1155 Molecular Modeling and Simulation in Process Engineering, TU Hamburg-Harburg, Germany, March 6, 2009.
H. Hasse and 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, Germany, February 18, 2009.
Publikationen
