Achtung:

Sie haben Javascript deaktiviert!
Sie haben versucht eine Funktion zu nutzen, die nur mit Javascript möglich ist. Um sämtliche Funktionalitäten unserer Internetseite zu nutzen, aktivieren Sie bitte Javascript in Ihrem Browser.

Bildinformationen anzeigen
Bildinformationen anzeigen
Bildinformationen anzeigen
Bildinformationen anzeigen
ThEt
Thermodynamik und Energietechnik

Vorträge

[88] 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.
[87] 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.
[86] 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.
[85] 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.
[84] 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.
[83] 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.
[82] H. Hasse, M. Horsch and J. Vrabec:
Molecular Modeling and Simulation of Phase Equilibria for Chemical Engineering,
InPROMT 2012, Berlin, Germany, November 16, 2012.
[81] 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.
[80] J. Vrabec:
Atomistic molecular simulations for engineering applications: methods, tools and results,
Thermodynamik-Kolloquium, Potsdam, Germany, October 9, 2012.
[79]
 
S. Reiser, S. Deublein, J. Vrabec and H. Hasse:
Molekulare Simulation von Ionen in wässrigen und nichtwässrigen Elektrolytlösungen,
ProcessNet Jahrestagung, Karlsruhe, September 10, 2012.
[78]
 
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.
[77]
 
S. Deublein, S. Reiser, J. Vrabec and H. Hasse:
Molecular Simulation of Aqueous Electrolyte Solutions,
InMoTher 2012, Lyon, France, March 19, 2012.
[76]
 
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.
[75]
 
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.
[74]
 
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.
[73]
 
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.
[72]
 
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.
[71]
 
S. Deublein, S. Reiser, J. Vrabec and H. Hasse:
Molekulare Simulationen wässriger Elektrolytlösungen,
Thermodynamik-Kolloquium, Frankfurt, Germany, October 5, 2011.
[70]
 
M. Horsch, J. Vrabec and H. Hasse:
Molekulare Simulation gekrümmter Grenzflächen von Fluiden,
Thermodynamik-Kolloquium, Frankfurt, Germany, October 5, 2011.
[69]
 
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.
[68]
 
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.
[67]
 
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.
[66]
 
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.
[65]
 
G. Rutkai, R. Lustig and J. Vrabec:
Molecular Simulation Strategies for Large Scale Thermodynamic Data Generation,
Thermodynamics 2011, Athens, Greece, August 31, 2011.
[64]
 
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.
[63]
 
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.
[62]
 
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.
[61] 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.
[61] 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.
[61] 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.
[60] 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.
[59] 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.
[58] 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.
[57] 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.
[56] 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.
[55] 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.
[54] 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.
[53] 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.
[52] 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.
[51] 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.
[50] 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.
[49] 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.
[48] 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.
[47] 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.
[46] M. Horsch and J. Vrabec:
Molekulardynamik-Simulation realer Fluide in Nanokanälen,
DFG-Sonderforschungsbereich 716, Markt Irsee, Germany, September 21, 2009.
[45] 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.
[44] H. Hasse , J. Vrabec and  H.-J. Bungartz:
High-Performance Computing in der Verfahrenstechnik, Tandemvortrag,
ProcessNet Jahrestagung, Mannheim, Germany, September 10, 2009.
[43] 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.
[42] 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.
[41] 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.
[40] M. Horsch, H. Hasse and J. Vrabec:
Grand canonical molecular dynamics simulation of homogeneous nucleation,
BCNucleation-Aggregation Workshop, Department de Física Fonamental, Universitat de Barcelona, Spain, June 18, 2009.
[39] J. Vrabec, B. Eckl and H. Hasse:
Anwendung molekularer Methoden zur Vorhersage thermophysikalischer Stoffdaten am Beispiel Ethylenoxid, ProcessNet Jahrestagung, Karlsruhe, Germany, October 9, 2008.
[38]   J. Vrabec:
QM based molecular modelling and simulation for predictive applications regarding hazardous fluids, 6th German-Northkorean Seminar, Aachen, Germany, October 7, 2008.
[37]   J. Vrabec, B. Eckl and H. Hasse:
Thermophysical Properties of Humid Air by Molecular Simulation - Dew Point Calculations in a New Ensemble, 15th International Conference on the Properties of Water and Steam, Berlin, Germany, September 8, 2008.
[36]   J. Vrabec, B. Eckl and 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, Frankfurt/Main, Germany, March 11, 2008.
[35]   J. Vrabec:
Molecular modeling and simulation for predictive applications in process engineering, Seminar, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA, November 2, 2007.
[34]   T. Schnabel, J. Vrabec and H. Hasse:
Molekulare Modelle H-Brücken bildender fluider Reinstoffe und Mischungen: Entwicklung und Validierung anhand thermodynamischer und NMR-Daten, Thermodynamik-Kolloquium 2007, Rostock, Germany, October 10, 2007.
[33]   J. Vrabec, M. Horsch, H. Hasse, A. Wix and K. Schaber:
Molekulare Simulation von nano-skaligen Flüssigkeitströpfchen und der homogenen Keimbildung bei der Kondensation, Thermodynamik-Kolloquium 2007, Rostock, Germany, October 9, 2007.
[32]   J. Vrabec, M. Horsch, and H. Hasse:
Molecular simulation of nano-scale droplets and their formation in homogeneous nucleation, Thermodynamics 2007, Paris, France, September 28, 2007.
[31]   J. Vrabec, M. Horsch and H. Hasse:
Molecular simulation of nano-scale droplets and their formation in homogeneous nucleation, Gemeinsame Sitzung der ProcessNet-Arbeitsausschüsse "Adsorption" und "Extraktion" und des Arbeitskreises "Molekulare Modellierung und Simulation für Prozess- und Produktdesign" , Asselheim, Germany, March 22, 2007.
[30]   J. Vrabec:
Molecular modelling and simulation methods for thermodynamic applications, Institutskolloquium Max-Planck-Institut, Magdeburg, Germany, March 12, 2007.
[29]   J. Vrabec, B. Eckl, Y.-L. Huang and H. Hasse:
Vapor pressure of R227ea + Ethanol at 343.17 K, AIChE 2006 Annual Meeting, San Francisco, CA, USA, November 17, 2006.
[28]   J. Vrabec, H. Hasse, J. Vorholz and R. Franke:
Molekulare Methoden für das Prozess- und Produktdesign, VDI-GVC-Fachausschußsitzung "Thermodynamik", Dortmund, Germany, October 5, 2006.
[27]   J. Vorholz, R. Franke, J. Vrabec and H. Hasse:
Molekulare Methoden für das Prozess- und Produktdesign, DECHEMA/GVC Jahrestagungen, Wiesbaden, Germany, September 27, 2006.
[26]   J. Vrabec, G. A. Fernandez and 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, August 1, 2006.
[25]   J. Vrabec, T. Schnabel, B. Eckl and H. Hasse:
Molecular Modeling and Simulation Methods for the Calculation of Vapor-Liquid Equilibria using High Performance Computers, Molecular simulation of equilibrium properties, European Seminar on Applied Molecular Simulation, Institut Francais du Petrole, Rueil-Malmaison, France, March 31, 2006.
[24]   J. Vrabec:
Molekulare Modellierung und Simulation für Anwendungen in der Verfahrenstechnik, Fakultätskolloquium, Fakultät für Chemieingernieurwesen und Verfahrenstechnik, Karlsruhe, Germany, November 8, 2005.
[23]   J. Vrabec:
Tutorial: Thermodynamische Stoffdaten mittels molekularer Simulation, DECHEMA Arbeitsausschuß "Ingenieurdaten", Frankfurt, Germany, October 6, 2005.
[22]   J. Vrabec, D. Mader and H. Hasse:
Strömungen in nanoskaligen Geometrien mittels molekulardynamischen Simulationen, ASIM 2005, 18th Symposium on Simulation Technique, Erlangen, Germany, September 13, 2005.
[21]   J. Vrabec and H. Hasse:
Molecular Models for the Simulation of Thermodynamic Properties, Modern Applications of Statistical Mechanics, Carmona, Spain, April 5, 2005.
[20]   J. Vrabec and H. Hasse:
Molekulare Modellierung und Simulation thermophysikalischer Fluideigenschaften für die Verfahrenstechnik, DECHEMA-Arbeitskreis "Molekulare Modellierung und Simulation für Prozeß- und Produktdesign", Frankfurt, Germany, February 28, 2005.
[19]   J. Vrabec, J. Stoll, T. Schnabel, G. A. Fernandez, B. Eckl and H. Hasse:
Molekulare Modellierung und Simulation thermophysikalischer Fluideigenschaften für die Verfahrenstechnik,
3rd Workshop SFB 412, Stuttgart, Germany, February 21, 2005.
[18]   J. Vrabec, B. Eckl, T. Schnabel, G. A. Fernandez, J. Stoll and H. Hasse:
Molecular models for applications in process engineering,
Chemical Engineering Department Seminary, National Tawian University, Taipei, Taiwan, January 5, 2005.
[17]   J. Vrabec, D. Mader and H. Hasse:
Molekulardynamische Simulationen von Strömungen in nanoskaligen Geometrien,
4. Chemnitz / Hamburger Colloquium Mikro-Strömungen, Hamburg, Germany, November 12, 2004.
[16]   J. Vrabec, G. A. Fernandez and H. Hasse:
On the predictive power of molecular models for thermodyamic properties of simple real fluids,
17th IUPAC Conference on Chemical Thermodynamics, Beijing, China, August 17, 2004.
[15]   J. Vrabec, J. Stoll and H. Hasse:
Molekulare Modelle thermophysikalischer Eigenschaften für die Verfahrenstechnik,
1st Workshop on Molecular and Manybody Simulation (MMS), Stuttgart, Germany, March 16, 2004.
[14]   J. Vrabec, J. Stoll and H. Hasse:
On the predictive power of molecular models for thermodyamic properties of simple real fluids,
20th European Symposium on Applied Thermodynamics, Lahnstein, Germany, October 10, 2003.
[13]   J. Vrabec, J. Stoll and H. Hasse:
Molekulare Modelle thermophysikalischer Eigenschaften für die Verfahrenstechnik,
DECHEMA/GVC Jahrestagungen, Mannheim, Germany, September 17, 2003.
[12]   J. Vrabec, J. Stoll and H. Hasse:
Molekulare Modelle thermophysikalischer Eigenschaften für die Verfahrenstechnik,
ACHEMA, Frankfurt, Germany, May 22, 2003.
[11]   J. Vrabec and H. Hasse:
Grand Equilibrium: Vapour-Liquid Equilibria by a New Simulation Method,
Thermodynamics 2003, Cambridge, United Kingdom, April 10, 2003.
[10]   J. Vrabec, J. Stoll and H. Hasse:
Molecular Simulation of Thermodynamic Properties of Real Fluids,
3rd Workshop SFB 412, Stuttgart, Germany, February 28, 2003.
[9]  J. Vrabec, J. Stoll and H. Hasse:
Grand Equilibrium: Eine neue Methode zur Berechnung von fluiden Phasengleichgewichten mittel molekularer Simulation,
VDI-GVC-Fachausschußsitzung "Thermodynamik", Wernigerode, Germany, October 8, 2002.
[8]  J. Vrabec, J. Stoll and H. Hasse:
Grand Equilibrium and molecular models for accurate simulation of vapour-liquid equilibria of mixtures,
17th IUPAC Conference on Chemical Thermodynamics, Rostock, Germany, July 29, 2002.
[7] J. Vrabec, J. Stoll and H. Hasse:
Lennard-Jones based family of potential models for accurate simulations of thermodynamic properties of pure fluids and mixtures,
AIChE 2001 Annual Meeting, Reno, USA, November 7, 2001.
[6]  J. Vrabec and H. Hasse:
Molecular simulation of thermodynamic properties of pure fluids and mixtures: model develpoment and visualization,
Workshop on Modelling and Computation in Chemical Engineering and Biotechnology, Hohenwart, Germany, October 4, 2001.
[5] J. Vrabec, J. Stoll and 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, Kiev, Ukraine, September 15, 2001.
[4] J. Vrabec, J. Stoll, H. Hasse and J. Fischer:
Dampf-Flüssig-Phasengleichgewichte quadrupolarer Zwei-Zentren-Lennard-Jones-Fluide,
VDI-GVC-Fachausschußsitzung "Thermodynamik", Frankfurt/Main, Germany, October 5, 2000.
[3]  J. Vrabec, J. Stoll and H. Hasse:
Molecular Simulation and Vapour-Liquid Equilibria,
Chemical Engineering Department Seminary, National Cheng Kung University, Tainan, Taiwan, February 25, 2000.
[2]  J. Vrabec and J. Fischer:
Berechnung von Dampf-Flüssigkeitsphasengleichgewichten mittels molekularer Simulation,
VDI-GVC-Fachausschußsitzung "Thermodynamik", Halle, Germany, October 4, 1995.
[1]  J. Vrabec and J. Fischer:
Vapour-liquid phase equilibria of mixtures from the NpT+test particle method,
4th Liblice Conference on the Statistical Mechanics, Liblice, Czech Republic, July 10, 1994.

 

Oral presentations (co-author)
(most recent at top)

[39] 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.
[38] 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.
[37] J. Vrabec, S. Miroshnichenko and M. Horsch:
Steady-state molecular dynamics simulation of vapour to liquid nucleation with McDonald’s daemon,
Statistical Physics: Modern Trends and Applications, L’viv, Ukraine, June 25, 2009.
[36] 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.
[35] M. Horsch, M. Heitzig and J. Vrabec:
MD study of Poiseuille/Couette flow and the vapor-liquid interface of methane in nanochannels, Seminar, Institute of Computational Physics, Universität Stuttgart, Stuttgart, Germany, December 8, 2008.
[34] M. Horsch, M. Heitzig and J. Vrabec:
MD simulation of methane in nanochannels, XIII. Congreso Chileno de Ingeniería Mecánica (COCIM), Arica, Chile, November 6, 2008.
[33]   G. F. Guevara Carrion, J. Vrabec, C. Nieto Draghi and H. Hasse:
Transportkoeffizienten von Alkoholen und Wasser: Molekulare Simulation und Messungen mit der Taylor-Dispersions Methode, Thermodynamik-Kolloquium 2008, Erlangen, Germany, September 26, 2008.
[32]   Y.-L. Huang, J. Vrabec and H. Hasse:
Prädiktive Molekulare Simulation thermodynamischer Eigenschaften realer sicherheitsrelevanter Reinstoffe und Mischungen, Thermodynamik-Kolloquium 2008, Erlangen, Germany, September 25, 2008.
[31] M. Horsch, J. Vrabec and H. Hasse:
Molekulardynamische Simulation von mehrphasigen Strömungen realer Fluide in nanoskaligen Kanälen, Statusseminar SFB 716, Pforzheim, Germany, September 9, 2008.
[30]   Y.-L. Huang, J. Vrabec and H. Hasse:
Industrial Fluid Property Challenge: Thermo-Physical Properties for Process Engineering Applications from Molecular Simulation, 20th International Conference on Chemical Thermodynamics, Warsaw, Poland, August 4, 2008.
[29] J. Vrabec, M. Horsch and H. Hasse:
Molecular dynamics based analysis of nucleation and surface energy of droplets in supersaturated vapors, ASME Micro/Nanoscale Heat Transfer International Conference (MNHT08), Tainan, Taiwan, January 8, 2008.
[28]   B. Eckl, J. Vrabec and H. Hasse:
On the Application of Force Fields for Predicting a Wide Variety of Properties: Ethylene Oxide as an Example, AIChE 2007 Annual Meeting, Salt Lake City, UT, USA, November 8, 2007.
[27]   S. Grottel, G. Reina, J. Vrabec and T. Ertl:
Visual Verification and Analysis of Cluster Detection for Molecular Dynamics, IEEE Visualization 2007, Sacramento, CA, USA, November 1, 2007.
[26]   T. Schnabel, J. Vrabec and H. Hasse:
Molekulare Modelle H-Brücken bildender Fluide: Entwicklung und Validierung anhand thermodynamischer und NMR-Daten, DECHEMA/GVC Jahrestagungen, Aachen, Germany, October 17, 2007.
[25] M. Horsch, J. Vrabec and H. Hasse:
Molkulardynamische Simulation von Phasenübergängen und Strömungen in nanoskaligen Kanälen, Statusseminar SFB 716, Pforzheim, Germany, October 11, 2007.
[24]   B. Eckl, Y.-L. Huang, T. Schnabel, J. Vrabec and H. Hasse:
Vapor-liquid equilibria of mixtures and combination rules: a systematic approach, Thermodynamics 2007 , Paris, France, September 27, 2007.
[23]   T. Schnabel, M. Maiwald, J. Vrabec and H. Hasse:
Molecular models of hydrogen bonding fluids: development and validation using thermodynamic and NMR-data, Thermodynamics 2007 , Paris, France, September 26, 2007.
[22]   B. Eckl, T. Schnabel, J. Vrabec and H. Hasse:
Development of Molecular Models for Application in Process Engineering, Gemeinsame Sitzung der ProcessNet-Arbeitsausschüsse "Adsorption" und "Extraktion" und des Arbeitskreises "Molekulare Modellierung und Simulation für Prozess- und Produktdesign" , Asselheim, Germany, March 22, 2007.
[21]   J. Vrabec, J. Vorholz and H. Hasse:
Molekulare Modellierung und Simulation für das Prozessdesign, VDI-GVC Gemeinsame Sitzung der ProcessNet-Fachausschüsse "Prozess- und Anlagentechnik" und "Fluidverfahrenstechnik", Karlsruhe, Germany, February 11, 2007.
[20]   M. Bernreuther, H.-J. Bungartz, J. Vrabec and H. Hasse:
Molekulare Modellierung von Nukleationsprozessen auf parallelen Architekturen, VDI-GVC-Fachausschußsitzung "Thermodynamik", Dortmund, Germany, October 5, 2006.
[19]   T. Schnabel, J. Vrabec and H. Hasse:
Molekulare Modellierung ungleicher Wechselwirkungen in Mischungen, VDI-GVC-Fachausschußsitzung "Thermodynamik", Dortmund, Germany, October 5, 2006.
[18]   B. Eckl, J. Vrabec and H. Hasse:
Development of Molecular Models Based on Quantum-Chemical Calculations, 19th International Conference on Chemical Thermodynamics, Boulder, CO, USA, August 2, 2006.
[17]  Y.-L. Huang, J. Vrabec and 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, January 2, 2006.
[16]  G. A. Fernandez, J. Vrabec and H. Hasse:
Vorhersage von Transporteigenschaften durch molekulare Simulation,
VDI-GVC-Fachausschußsitzung "Thermodynamik", Frankfurt/Main, Germany, October 7, 2005.
[15]  J. Groß  and J. Vrabec:
Entwicklung von Zustandsgleichungsbeiträgen für dipolare und quadrupolare Wechselwirkungen,
VDI-GVC-Fachausschußsitzung "Thermodynamik", Frankfurt/Main, Germany, October 7, 2005.
[14]  B. Eckl, J. Vrabec and H. Hasse:
Parametrierung molekularer Modelle für die Verfahrenstechnik auf der Grundlage quantenchemischer Methoden,
VDI-GVC-Fachausschußsitzung "Thermodynamik", Frankfurt/Main, Germany, October 6, 2005.
[13]  B. Eckl, J. Vrabec and H. Hasse:
Entwicklung molekularer Modelle für die Verfahrenstechnik mit quantenmechanischen Methoden,
DECHEMA/GVC Jahrestagungen, Wiesbaden, Germany, September 8, 2005.
[12]  T. Schnabel, B. Eckl, J. Vrabec and H. Hasse:
New Lennard-Jones Based Molecular Models of Hydrogen Bonding Fluids: Methanol, Ethanol, and Ammonia,
Thermodynamics 2005, Sesimbra, Portugal, April 8, 2005.
[11]  G. A. Fernandez, J. Vrabec and H. Hasse:
Prediction of Transport Properties of Real Fluids by Molecular Dynamics,
Thermodynamics 2005, Sesimbra, Portugal, April 7, 2005.
[10]  M. Bernreuther and J. Vrabec:
Molecular simulation of fluids with short range potentials,
2nd Teraflop Workshop, Stuttgart, Germany, March 18, 2005.
[9]  J. Stoll, J. Vrabec and H. Hasse:
Molecular Models for Accurate Simulation of Thermophysical Properties of Pure Fluids and Mixtures,
XIV International Conference on Chemical Thermodynamics, St. Petersburg, Russia, July 1, 2002.
[8]  J. Stoll, J. Vrabec and H. Hasse:
Molekulare Simulation von Dampf-Flüssigkeits Gleichgewichten realer binärer und ternärer Mischungen,
VDI-GVC-Fachausschußsitzung "Thermodynamik", Würzburg, Germany, October 9, 2001.
[7]  S. Calero, D. Heene, J. Fischer, M. Mecke, A. Müller, B. Saager, J. Vrabec, U. Weingerl, M. Wendland and J. Winkelmann:
Zustandsgleichungen auf der Grundlage der Statistischen Thermodynamik und Spezifische Mischungsregeln,
Workshop SPP "Komplexe Gemische", Kaiserslautern, Germany, January 13, 2000.
[6]  M. Kettler, J. Stoll, J. Vrabec and H. Hasse:
Molecular Simulation of Phase Equilibria of Real Fluids,
2nd Workshop SFB 412, Stuttgart, Germany, October 11, 1999.
[5] A. Lotfi, J. Vrabec, D. Möller, M. Mecke and J. Fischer:
Molekulardynamische Simulationen in der Thermo- und Fluiddynamik,
VDI-GVC-Jahrestagung 1997, Dresden, Germany, September 26, 1997.
[4] J. Vrabec and J. Fischer:
Berechnung von Dampf-Flüssigkeitsphasengleichgewichten mittels molekularer Simulation,
VDI-GVC-Jahrestagung 1996, Dortmund, Germany, September 27, 1996.
[3] J. Fischer, D. Möller, L. Anping, A. Lotfi and J. Vrabec:
Thermodynamic properties from molecular simulations,
13th experimental thermodynamics conference, Bristol, United Kingdom, March 24, 1993.
[2] A. Lotfi, J. Vrabec and J. Fischer:
Vom Phasengleichgewicht zur Verdampfung,
VDI-GVC-Fachausschußsitzung "Thermodynamik", Offenbach, Germany, October 8, 1992.
[1] A. Lotfi, J. Vrabec and J. Fischer:
Vom Phasengleichgewicht zur Verdampfung,
56. Bunsenkolloquium, Merseburg, Germany, September 10, 1992.

Die Universität der Informationsgesellschaft