Works by Vrabec, Jadran

Results: 43

Definitions and preferred symbols for mass diffusion coefficients in multicomponent fluid mixtures including electrolytes (IUPAC Technical Report).

Published in:

Pure & Applied Chemistry, 2025, v. 97, n. 7, p. 689, doi. 10.1515/pac-2024-0251

By:

Klein, Tobias;
Kankanamge, Chathura J.;
Koller, Thomas M.;
Rausch, Michael H.;
Fröba, Andreas P.;
Assael, Marc J.;
Wakeham, William A.;
Guevara-Carrion, Gabriela;
Vrabec, Jadran

Publication type:

Article

Predicting and Rationalizing the Soret Coefficient of Binary Lennard‐Jones Mixtures in the Liquid State.

Published in:

Advanced Theory & Simulations, 2022, v. 5, n. 11, p. 1, doi. 10.1002/adts.202200311

By:

Zimmermann, Nils E. R.;
Guevara‐Carrion, Gabriela;
Vrabec, Jadran;
Hansen, Niels

Publication type:

Article

Comprehensive study of the vapour–liquid coexistence of the truncated and shifted Lennard–Jones fluid including planar and spherical interface properties.

Published in:

Molecular Physics, 2006, v. 104, n. 9, p. 1509, doi. 10.1080/00268970600556774

By:

Vrabec, Jadran;
Kedia, Gaurav Kumar;
Fuchs, Guido;
Hasse, Hans

Publication type:

Article

Grand Equilibrium: vapour–liquid equilibria by a new molecular simulation method.

Published in:

Molecular Physics, 2002, v. 100, n. 21, p. 3375, doi. 10.1080/00268970210153772

By:

Vrabec, Jadran;
Hasse, Hans

Publication type:

Article

Vapour liquid equilibria of mixtures from the NpT plus test particle method.

Published in:

Molecular Physics, 1995, v. 85, n. 4, p. 781, doi. 10.1080/00268979500101481

By:

Vrabec, Jadran;
Fischer, Johann

Publication type:

Article

Vapour liquid equilibria of the Lennard-Jones fluid from the NpT plus test particle method.

Published in:

Molecular Physics, 1992, v. 76, n. 6, p. 1319, doi. 10.1080/00268979200102111

By:

Lotfi, Amal;
Vrabec, Jadran;
Fischer, Johann

Publication type:

Article

Vapor-liquid equilibria of the ternary mixture CH4 + C2H6 + CO2 from molecular simulation.

Published in:

AIChE Journal, 1997, v. 43, n. 1, p. 212, doi. 10.1002/aic.690430123

By:

Vrabec, Jadran;
Fischer, Johann

Publication type:

Article

Modeling dynamic pressure loss by absorption in oleo-pneumatic shock absorbers without separator: Modeling Dynamic Pressure Loss by Absorption: F. Willich et al.

Published in:

Nonlinear Dynamics, 2025, v. 113, n. 12, p. 14287, doi. 10.1007/s11071-025-10947-1

By:

Willich, Felix;
Holzapfel, Florian;
Vrabec, Jadran

Publication type:

Article

Long range corrections for inhomogeneous fluids containing a droplet or a bubble.

Published in:

Molecular Simulation, 2022, v. 48, n. 1, p. 73, doi. 10.1080/08927022.2021.1954639

By:

Nitzke, Isabel;
Fackeldey, Konstantin;
Vrabec, Jadran

Publication type:

Article

MolMod – an open access database of force fields for molecular simulations of fluids.

Published in:

Molecular Simulation, 2019, v. 45, n. 10, p. 806, doi. 10.1080/08927022.2019.1601191

By:

Stephan, Simon;
Horsch, Martin T.;
Vrabec, Jadran;
Hasse, Hans

Publication type:

Article

How well does the Tang-Toennies potential represent the thermodynamic properties of argon?

Published in:

Molecular Physics, 2022, v. 120, n. 11, p. 1, doi. 10.1080/00268976.2022.2078240

By:

Nitzke, Isabel;
Pohl, Sven;
Thol, Monika;
Span, Roland;
Vrabec, Jadran

Publication type:

Article

Evaporation driven by conductive heat transport.

Published in:

Molecular Physics, 2021, v. 119, n. 15/16, p. 1, doi. 10.1080/00268976.2020.1836410

By:

Homes, Simon;
Heinen, Matthias;
Vrabec, Jadran;
Fischer, Johann

Publication type:

Article

Thermodynamic factor of quaternary mixtures from Kirkwood–Buff integration.

Published in:

Molecular Physics, 2020, v. 118, n. 6, p. 1, doi. 10.1080/00268976.2019.1643046

By:

Fingerhut, Robin;
Herres, Gerhard;
Vrabec, Jadran

Publication type:

Article

Special Issue of Molecular Physics in Honour of Professor Johann Fischer.

Published in:

Molecular Physics, 2017, v. 115, n. 9-12, p. 1015, doi. 10.1080/00268976.2017.1323713

By:

Lustig, Rolf;
Vega, Carlos;
Vrabec, Jadran

Publication type:

Article

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

Published in:

Molecular Physics, 2017, v. 115, n. 9-12, p. 1166, doi. 10.1080/00268976.2016.1262557

By:

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

Publication type:

Article

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

Published in:

Molecular Physics, 2017, v. 115, n. 9-12, p. 1104, doi. 10.1080/00268976.2016.1246760

By:

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

Publication type:

Article

Thermodynamic correlation of molecular simulation data.

Published in:

Molecular Physics, 2015, v. 113, n. 9/10, p. 910, doi. 10.1080/00268976.2015.1023752

By:

Lustig, Rolf;
Rutkai, Gabor;
Vrabec, Jadran

Publication type:

Article

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

Published in:

Molecular Physics, 2014, v. 112, n. 17, p. 2227, doi. 10.1080/00268976.2013.861086

By:

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

Publication type:

Article

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.

Published in:

Molecular Physics, 2011, v. 109, n. 16, p. 1975, doi. 10.1080/00268976.2011.601604

By:

Engin, Cemal;
Vrabec, Jadran;
Hasse, Hans

Publication type:

Article

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

Published in:

Molecular Physics, 2011, v. 109, n. 4, p. 619, doi. 10.1080/00268976.2010.542894

By:

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

Publication type:

Article

An optimised molecular model for ammonia.

Published in:

Molecular Physics, 2008, v. 106, n. 8, p. 1039, doi. 10.1080/00268970802112137

By:

Eckl, Bernhard;
Vrabec, Jadran;
Hasse, Hans

Publication type:

Article

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

Published in:

AIChE Journal, 2011, v. 57, n. 4, p. 1043, doi. 10.1002/aic.12329

By:

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

Publication type:

Article

An Equation-of-State Contribution for Polar Components: Dipolar Molecules.

Published in:

AIChE Journal, 2006, v. 52, n. 3, p. 1194, doi. 10.1002/aic.10683

By:

Gross, Joachim;
Vrabec, Jadran

Publication type:

Article

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

Published in:

AIChE Journal, 2003, v. 49, n. 8, p. 2187, doi. 10.1002/aic.690490826

By:

Stoll, Jürgen;
Vrabec, Jadran;
Hasse, Hans

Publication type:

Article

On the Treatment of Electrostatic Interactions of Non-spherical Molecules in Equation of State Models.

Published in:

Soft Materials, 2012, v. 10, n. 1-3, p. 81, doi. 10.1080/1539445X.2011.599701

By:

Korden, Stephan;
Van Nhu, Nguyen;
Vrabec, Jadran;
Gross, Joachim;
Leonhard, Kai

Publication type:

Article

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

Published in:

Soft Materials, 2012, v. 10, n. 1-3, p. 3, doi. 10.1080/1539445X.2011.599695

By:

Merker, Thorsten;
Vrabec, Jadran;
Hasse, Hans

Publication type:

Article

Digitalization in Thermodynamics.

Published in:

Chemie Ingenieur Technik (CIT), 2019, v. 91, n. 3, p. 201, doi. 10.1002/cite.201800056

By:

Forte, Esther;
Jirasek, Fabian;
Bortz, Michael;
Burger, Jakob;
Vrabec, Jadran;
Hasse, Hans

Publication type:

Article

SkaSim – Skalierbare HPC‐Software für molekulare Simulationen in der chemischen IndustrieSkaSim – Scalable HPC Software for Molecular Simulation in the Chemical Industry.

Published in:

Chemie Ingenieur Technik (CIT), 2018, v. 90, n. 3, p. 295, doi. 10.1002/cite.201700113

By:

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;
Horsch, Martin T.;
Hsieh, Chieh‐Ming;
Hülsmann, Marco;
Jäger, Philip;
Klein, Peter;
Knauer, Sandra;
Köddermann, Thorsten;
Köster, Andreas;
Langenbach, Kai

Publication type:

Article

ms2: Ein Werkzeug zur Berechnung thermodynamischer Stoffeigenschaften mittels molekularer Simulation.

Published in:

Chemie Ingenieur Technik (CIT), 2012, v. 84, n. 1/2, p. 114, doi. 10.1002/cite.201100079

By:

Deublein, Stephan;
Eckl, Bernhard;
Stoll, Jürgen;
Lishchuk, Sergey V.;
Guevara-Carrion, Gabriela;
Glass, Colin W.;
Merker, Thorsten;
Bernreuther, Martin;
Hasse, Hans;
Vrabec, Jadran

Publication type:

Article

Dynamic simulation of particle-filled hollow spheres.

Published in:

PAMM: Proceedings in Applied Mathematics & Mechanics, 2011, v. 11, n. 1, p. 881, doi. 10.1002/pamm.201110427

By:

Steinle, Tobias;
Vrabec, Jadran;
Walther, Andrea

Publication type:

Article

Automated development of force fields for the calculation of thermodynamic properties: acetonitrile as a case study.

Published in:

Molecular Simulation, 2013, v. 39, n. 2, p. 109, doi. 10.1080/08927022.2012.705434

By:

Deublein, Stephan;
Metzler, Patrick;
Vrabec, Jadran;
Hasse, Hans

Publication type:

Article

Molecular models of unlike interactions in fluid mixtures.

Published in:

Molecular Simulation, 2005, v. 31, n. 4, p. 215, doi. 10.1080/08927020412331332776

By:

Vrabec, Jadran;
Stoll, Jürgen;
Hasse, Hans

Publication type:

Article

Orthobaric Densities from Simulations of the Liquid Vapour Interface.

Published in:

Molecular Simulation, 1990, v. 5, n. 3/4, p. 233, doi. 10.1080/08927029008022133

By:

Lotfi, Amal;
Vrabec, Jadran;
Fischer, Johann

Publication type:

Article

Thermal conductivity of solid paraffins and several n-docosane compounds with graphite.

Published in:

Journal of Thermal Analysis & Calorimetry, 2023, v. 148, n. 12, p. 5687, doi. 10.1007/s10973-023-12107-2

By:

Paul, Andreas;
Baumhögger, Elmar;
Dewerth, Mats-Ole;
Dindar, Iman Hami;
Sonnenrein, Gerrit;
Vrabec, Jadran

Publication type:

Article

Diffusion of methane in supercritical carbon dioxide across the Widom line.

Published in:

Scientific Reports, 2019, v. 9, n. 1, p. N.PAG, doi. 10.1038/s41598-019-44687-1

By:

Guevara-Carrion, Gabriela;
Ancherbak, Sergiy;
Mialdun, Aliaksandr;
Vrabec, Jadran;
Shevtsova, Valentina

Publication type:

Article

TweTriS: Twenty trillion-atom simulation.

Published in:

International Journal of High Performance Computing Applications, 2019, v. 33, n. 5, p. 838, doi. 10.1177/1094342018819741

By:

Tchipev, Nikola;
Seckler, Steffen;
Heinen, Matthias;
Vrabec, Jadran;
Gratl, Fabio;
Horsch, Martin;
Bernreuther, Martin;
Glass, Colin W;
Niethammer, Christoph;
Hammer, Nicolay;
Krischok, Bernd;
Resch, Michael;
Kranzlmüller, Dieter;
Hasse, Hans;
Bungartz, Hans-Joachim;
Neumann, Philipp;
Mascagni, Michael

Publication type:

Article

Acoustic absorption measurement for the determination of the volume viscosity of pure fluids / Messverfahren für die akustischen Absorption zur Bestimmung der Volumenviskosität reiner Fluide.

Published in:

Technisches Messen, 2019, v. 86, p. 2, doi. 10.1515/teme-2019-0038

By:

Claes, Leander;
Hülskämper, Lars Moritz;
Baumhögger, Elmar;
Feldmann, Nadine;
Spencer Chatwell, René;
Vrabec, Jadran;
Henning, Bernd

Publication type:

Article

Diffusion of hydrocarbons diluted in supercritical carbon dioxide.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-42892-7

By:

Saric, Denis;
Guevara-Carrion, Gabriela;
Gaponenko, Yury;
Shevtsova, Valentina;
Vrabec, Jadran

Publication type:

Article

Assessing the accuracy of improved force-matched water models derived from Ab initio molecular dynamics simulations.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 19, p. 1828, doi. 10.1002/jcc.24398

By:

Köster, Andreas;
Spura, Thomas;
Rutkai, Gábor;
Kessler, Jan;
Wiebeler, Hendrik;
Vrabec, Jadran;
Kühne, Thomas D.

Publication type:

Article

On the application of binary correction factors in lattice distortion calculations for methane clathrate hydrates.

Published in:

Philosophical Magazine, 2014, v. 94, n. 9, p. 974, doi. 10.1080/14786435.2013.873553

By:

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

Publication type:

Article

Berechnung von Dampf/Flüssigkeits-Phasengleichgewichten mittels molekularer Simulationen.

Published in:

Chemie Ingenieur Technik (CIT), 1997, v. 69, n. 8, p. 1126, doi. 10.1002/cite.330690814

By:

Vrabec, Jadran;
Fischer, Johann

Publication type:

Article

Computational Molecular Engineering as an Emerging Technology in Process Engineering.

Published in:

IT: Information Technology, 2013, v. 55, n. 3, p. 97, doi. 10.1524/itit.2013.0013

By:

Horsch, Martin;
Niethammer, Christoph;
Vrabec, Jadran;
Hasse, Hans

Publication type:

Article

Diffusion in multicomponent aqueous alcoholic mixtures.

Published in:

Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-91727-w

By:

Guevara-Carrion, Gabriela;
Fingerhut, Robin;
Vrabec, Jadran

Publication type:

Article