Jadran Vrabec: search on Z-Library

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1

A Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid Phase Equilibria

Fingerhut, Robin, Chen, Wei-Lin, Schedemann, Andre, Cordes, Wilfried, Rarey, Juergen, Hsieh, Chieh-Ming, Vrabec, Jadran, Lin, Shiang-Tai

Journal:

Industrial & Engineering Chemistry Research

Year:

2017

Language:

english

File:

PDF, 1.81 MB

english, 2017

2

Evaporation from a free liquid surface

Lotfi, Amal, Vrabec, Jadran, Fischer, Johann

Journal:

International Journal of Heat and Mass Transfer

Year:

2014

Language:

english

File:

PDF, 1.46 MB

english, 2014

3

Equation of state for 1,2-dichloroethane based on a hybrid data set

Thol, Monika, Rutkai, Gábor, Köster, Andreas, Miroshnichenko, Svetlana, Wagner, Wolfgang, Vrabec, Jadran, Span, Roland

Journal:

Molecular Physics

Year:

2017

Language:

english

File:

PDF, 2.00 MB

english, 2017

4

A Benchmark Open-Source Implementation of COSMO-SAC

Bell, Ian H., Mickoleit, Erik, Hsieh, Chieh-Ming, Lin, Shiang-Tai, Vrabec, Jadran, Breitkopf, Cornelia, JÃ¤ger, Andreas

Journal:

Journal of Chemical Theory and Computation

Year:

2020

File:

PDF, 1.40 MB

2020

5

How well does the Lennard-Jones potential represent the thermodynamic properties of noble gases?

Rutkai, Gábor, Thol, Monika, Span, Roland, Vrabec, Jadran

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 3.28 MB

english, 2016

6

Excess properties of non-ideal binary mixtures containing water, methanol and ethanol by molecular simulation

Miroshnichenko, Svetlana, Vrabec, Jadran

Journal:

Journal of Molecular Liquids

Year:

2015

Language:

english

File:

PDF, 498 KB

english, 2015

7

Henry’s Law Constant of Nitrogen, Oxygen, and Argon in Ternary Aqueous Alcoholic Solvent Mixtures

Malviya, Abhigyan, Vrabec, Jadran

Journal:

Journal of Chemical & Engineering Data

Year:

2019

Language:

english

File:

PDF, 2.56 MB

english, 2019

8

Thermodynamic correlation of molecular simulation data

Lustig, Rolf, Rutkai, Gabor, Vrabec, Jadran

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 1.98 MB

english, 2015

9

Fluid phase behavior from molecular simulation: Hydrazine, Monomethylhydrazine, Dimethylhydrazine and binary mixtures containing these compounds

Ekaterina Elts, Thorsten Windmann, Daniel Staak, Jadran Vrabec

Journal:

Fluid Phase Equilibria

Year:

2012

Language:

english

File:

PDF, 1.07 MB

english, 2012

10

Long-range correction for multi-site Lennard-Jones models and planar interfaces

Werth, Stephan, Rutkai, Gabor, Vrabec, Jadran, Horsch, Martin, Hasse, Hans

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 774 KB

english, 2014

11

[Topics in Current Chemistry] Multiscale Molecular Methods in Applied Chemistry Volume 307 || First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes

Kirchner, Barbara, Vrabec, Jadran

Year:

2012

Language:

english

File:

PDF, 1.01 MB

english, 2012

12

Thermodynamic Properties of Octamethylcyclotetrasiloxane

Thol, Monika, Rutkai, Gábor, Köster, Andreas, Dubberke, Frithjof H., Windmann, Thorsten, Span, Roland, Vrabec, Jadran

Journal:

Journal of Chemical & Engineering Data

Year:

2016

Language:

english

File:

PDF, 2.27 MB

english, 2016

13

Considering the dispersive interactions in the COSMO-SAC model for more accurate predictions of fluid phase behavior

Hsieh, Chieh-Ming, Lin, Shiang-Tai, Vrabec, Jadran

Journal:

Fluid Phase Equilibria

Year:

2014

Language:

english

File:

PDF, 997 KB

english, 2014

14

A Set of Molecular Models for Symmetric Quadrupolar Fluids

Vrabec, Jadran, Stoll, Jürgen, Hasse, Hans

Journal:

Journal of Physical Chemistry B

Year:

2001

Language:

english

File:

PDF, 117 KB

english, 2001

15

Liquid–liquid equilibria of dipropylene glycol dimethyl ether and water by molecular dynamics

Thorsten Köddermann, Karl N. Kirschner, Jadran Vrabec, Marco Hülsmann, Dirk Reith

Journal:

Fluid Phase Equilibria

Year:

2011

Language:

english

File:

PDF, 466 KB

english, 2011

16

Flexible or rigid molecular models? A study on vapour–liquid equilibrium properties of ammonia

Engin, Cemal, Merker, Thorsten, Vrabec, Jadran, Hasse, Hans

Journal:

Molecular Physics

Year:

2011

Language:

english

File:

PDF, 370 KB

english, 2011

17

Vapor–Liquid Equilibria of Nitrogen + Diethyl Ether and Nitrogen + 1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone by Experiment, Peng–Robinson and PC-SAFT Equations of State

Linnemann, Matthias, Vrabec, Jadran

Journal:

Journal of Chemical & Engineering Data

Year:

2017

Language:

english

File:

PDF, 1.21 MB

english, 2017

18

Diffusion limited evaporation of a binary liquid film

Chatwell, René Spencer, Heinen, Matthias, Vrabec, Jadran

Journal:

International Journal of Heat and Mass Transfer

Year:

2019

Language:

english

File:

PDF, 2.01 MB

english, 2019

19

Set of Molecular Models Based on Quantum Mechanical Ab Initio Calculations and Thermodynamic Data

Eckl, Bernhard, Vrabec, Jadran, Hasse, Hans

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 215 KB

english, 2008

20

On the difference between a point multipole and an equivalent linear arrangement of point charges in force field models for vapour–liquid equilibria; partial charge based models for 59 real fluids

Engin, Cemal, Vrabec, Jadran, Hasse, Hans

Journal:

Molecular Physics

Year:

2011

Language:

english

File:

PDF, 654 KB

english, 2011

21

Thermodynamic models for vapor–liquid equilibria of nitrogen + oxygen + carbon dioxide at low temperatures

Jadran Vrabec, Gaurav Kumar Kedia, Ulrich Buchhauser, Roland Meyer-Pittroff, Hans Hasse

Journal:

Year:

2009

Language:

english

File:

PDF, 400 KB

english, 2009

22

Unlike Lennard–Jones parameters for vapor–liquid equilibria

Thorsten Schnabel, Jadran Vrabec, Hans Hasse

Journal:

Journal of Molecular Liquids

Year:

2007

Language:

english

File:

PDF, 510 KB

english, 2007

23

SkaSim - Skalierbare HPC-Software für molekulare Simulationen in der chemischen Industrie

Vrabec, Jadran, Bernreuther, Martin, Bungartz, Hans-Joachim, Chen, Wei-Lin, Cordes, Wilfried, Fingerhut, Robin, Glass, Colin W., Gmehling, Jürgen, Hamburger, René, Heilig, Manfred, Heinen, Matthias, H

Journal:

Chemie Ingenieur Technik

Year:

2018

File:

PDF, 1.51 MB

2018

24

Diffusion limited evaporation of a binary liquid film

Chatwell, René Spencer, Heinen, Matthias, Vrabec, Jadran

Journal:

International Journal of Heat and Mass Transfer

Year:

2019

File:

PDF, 2.01 MB

2019

25

Vapor pressure of R227ea + ethanol at 343.13 K by molecular simulation

Bernhard Eckl, Yow-Lin Huang, Jadran Vrabec, Hasse Hans

Journal:

Fluid Phase Equilibria

Year:

2007

Language:

english

File:

PDF, 276 KB

english, 2007

26

Influence of unlike dispersion interactions in modeling methane clathrate hydrates

Lasich, Matthew, Mohammadi, Amir H., Bolton, Kim, Vrabec, Jadran, Ramjugernath, Deresh

Journal:

Fluid Phase Equilibria

Year:

2014

Language:

english

File:

PDF, 929 KB

english, 2014

27

[Topics in Current Chemistry] Multiscale Molecular Methods in Applied Chemistry Volume 307 || Multiscale Approaches and Perspectives to Modeling Aqueous Electrolytes and Polyelectrolytes

Kirchner, Barbara, Vrabec, Jadran

Year:

2012

Language:

english

File:

PDF, 1.12 MB

english, 2012

28

Comprehensive study of the vapour–liquid equilibria of the pure two-centre Lennard–Jones plus pointquadrupole fluid

Jürgen Stoll, Jadran Vrabec, Hans Hasse, Johann Fischer

Journal:

Fluid Phase Equilibria

Year:

2001

Language:

english

File:

PDF, 395 KB

english, 2001

29

Molecular models for 267 binary mixtures validated by vapor–liquid equilibria: A systematic approach

Jadran Vrabec, Yow-lin Huang, Hans Hasse

Journal:

Fluid Phase Equilibria

Year:

2009

Language:

english

File:

PDF, 1.08 MB

english, 2009

30

Molecular simulation study of hydrogen bonding mixtures and new molecular models for mono- and dimethylamine

Thorsten Schnabel, Jadran Vrabec, Hans Hasse

Journal:

Fluid Phase Equilibria

Year:

2008

Language:

english

File:

PDF, 409 KB

english, 2008

31

Vapor–Liquid Equilibrium Measurements of the Binary Mixtures Nitrogen + Acetone and Oxygen + Acetone

Windmann, Thorsten, Köster, Andreas, Vrabec, Jadran

Journal:

Journal of Chemical & Engineering Data

Year:

2012

Language:

english

File:

PDF, 432 KB

english, 2012

32

Orthobaric Densities from Simulations of the Liquid Vapour Interface

Lotfi, Amal, Vrabec, Jadran, Fischer, Johann

Journal:

Molecular Simulation

Year:

1990

Language:

english

File:

PDF, 657 KB

english, 1990

33

Bulk viscosity of liquid noble gases

Chatwell, RenÃ© Spencer, Vrabec, Jadran

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 3.72 MB

2020

34

Phase equilibria of methane clathrate hydrates from Grand Canonical Monte Carlo simulations

Lasich, Matthew, Mohammadi, Amir H., Bolton, Kim, Vrabec, Jadran, Ramjugernath, Deresh

Journal:

Fluid Phase Equilibria

Year:

2014

Language:

english

File:

PDF, 1.21 MB

english, 2014

35

Fluid phase interface properties of acetone, oxygen, nitrogen and their binary mixtures by molecular simulation

Eckelsbach, Stefan, Vrabec, Jadran

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.51 MB

english, 2015

36

Molecular Models for the Hydrogen Age: Hydrogen, Nitrogen, Oxygen, Argon, and Water

Köster, Andreas, Thol, Monika, Vrabec, Jadran

Journal:

Journal of Chemical & Engineering Data

Year:

2018

Language:

english

File:

PDF, 2.49 MB

english, 2018

37

Kirkwood-Buff integration: A promising route to entropic properties?

Fingerhut, Robin, Vrabec, Jadran

Journal:

Fluid Phase Equilibria

Year:

2018

Language:

english

File:

PDF, 1.89 MB

english, 2018

38

Thermodynamic properties of Dodecamethylpentasiloxane, Tetradecamethylhexasiloxane, and Decamethylcyclopentasiloxane

Thol, Monika, Javed, Muhammad Ali, Baumhögger, Elmar, Span, Roland, Vrabec, Jadran

Journal:

Industrial & Engineering Chemistry Research

Year:

2019

File:

PDF, 3.78 MB

2019

39

Vapor–liquid equilibria of hydrogen chloride, phosgene, benzene, chlorobenzene, ortho-dichlorobenzene, and toluene by molecular simulation

Yow-Lin Huang, Manfred Heilig, Hans Hasse, Jadran Vrabec

Journal:

Year:

2011

Language:

english

File:

PDF, 324 KB

english, 2011

40

GROW: A gradient-based optimization workflow for the automated development of molecular models

Marco Hülsmann, Thorsten Köddermann, Jadran Vrabec, Dirk Reith

Journal:

Computer Physics Communications

Year:

2010

Language:

english

File:

PDF, 502 KB

english, 2010

41

[Topics in Current Chemistry] Multiscale Molecular Methods in Applied Chemistry Volume 307 || Molecular Simulations of Retention in Chromatographic Systems: Use of Biased Monte Carlo Techniques to Access Multiple Time and Length Scales

Kirchner, Barbara, Vrabec, Jadran

Year:

2012

Language:

english

File:

PDF, 644 KB

english, 2012

42

Molecular models of unlike interactions in fluid mixtures

Vrabec, Jadran, Stoll, Jürgen, Hasse, Hans

Journal:

Molecular Simulation

Year:

2005

Language:

english

File:

PDF, 151 KB

english, 2005

43

Fundamental equation of state for ethylene oxide based on a hybrid dataset

Thol, Monika, Rutkai, Gábor, Köster, Andreas, Kortmann, Mirco, Span, Roland, Vrabec, Jadran

Journal:

Chemical Engineering Science

Year:

2015

Language:

english

File:

PDF, 1.23 MB

english, 2015

44

Engineering Molecular Models: Efficient Parameterization Procedure and Cyclohexanol as Case Study

Merker, Thorsten, Vrabec, Jadran, Hasse, Hans

Journal:

Year:

2012

Language:

english

File:

PDF, 1.26 MB

english, 2012

45

Vapor–liquid equilibria of mixtures containing nitrogen, oxygen, carbon dioxide, and ethane

Jürgen Stoll, Jadran Vrabec, Hans Hasse

Journal:

Year:

2003

Language:

english

File:

PDF, 293 KB

english, 2003

46

Prediction of Joule–Thomson inversion curves for pure fluids and one mixture by molecular simulation

Jadran Vrabec, Gaurav Kumar Kedia, Hans Hasse

Journal:

Year:

2005

Language:

english

File:

PDF, 171 KB

english, 2005

47

On the application of force fields for predicting a wide variety of properties: Ethylene oxide as an example

Bernhard Eckl, Jadran Vrabec, Hans Hasse

Journal:

Fluid Phase Equilibria

Year:

2008

Language:

english

File:

PDF, 379 KB

english, 2008

48

Prediction of self-diffusion coefficient and shear viscosity of water and its binary mixtures with methanol and ethanol by molecular simulation

Guevara-Carrion, Gabriela, Vrabec, Jadran, Hasse, Hans

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.52 MB

english, 2011

49

Equation of State for the Lennard-Jones Truncated and Shifted Model Fluid

Thol, Monika, Rutkai, Gabor, Span, Roland, Vrabec, Jadran, Lustig, Rolf

Journal:

International Journal of Thermophysics

Year:

2015

Language:

english

File:

PDF, 976 KB

english, 2015

50

Experimental and computational study on the solubility of argon in propan-2-ol at high temperatures

Nikolaychuk, Pavel Anatolyevich, Linnemann, Matthias, Muñoz-Muñoz, Y. Mauricio, Baumhögger, Elmar, Vrabec, Jadran

Journal:

Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 353 KB

english, 2017

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