Gabriela Guevara Carrion
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Prediction of self-diffusion coefficient and shear viscosity of water and its binary mixtures with methanol and ethanol by molecular simulation
G Guevara-Carrion, J Vrabec, H Hasse
The Journal of chemical physics 134 (7), 074508, 2011
1772011
Prediction of transport properties by molecular simulation: methanol and ethanol and their mixture
G Guevara-Carrion, C Nieto-Draghi, J Vrabec, H Hasse
The Journal of Physical Chemistry B 112 (51), 16664-16674, 2008
1092008
ms2: A molecular simulation tool for thermodynamic properties
S Deublein, B Eckl, J Stoll, SV Lishchuk, G Guevara-Carrion, CW Glass, ...
Computer Physics Communications 182 (11), 2350-2367, 2011
962011
ms2: A molecular simulation tool for thermodynamic properties, new version release
CW Glass, S Reiser, G Rutkai, S Deublein, A Köster, G Guevara-Carrion, ...
Computer Physics Communications 185 (12), 3302-3306, 2014
632014
Mutual diffusion in the ternary mixture of water+ methanol+ ethanol and its binary subsystems
S Par, G Guevara-Carrion, H Hasse, J Vrabec
Physical Chemistry Chemical Physics 15 (11), 3985-4001, 2013
552013
Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride
G Guevara-Carrion, T Janzen, YM Muñoz-Muñoz, J Vrabec
The Journal of chemical physics 144 (12), 124501, 2016
512016
ms2: A molecular simulation tool for thermodynamic properties, release 3.0
G Rutkai, A Köster, G Guevara-Carrion, T Janzen, M Schappals, ...
Computer Physics Communications 221, 343-351, 2017
452017
Thermodynamic properties for applications in chemical industry via classical force fields
G Guevara-Carrion, H Hasse, J Vrabec
Multiscale Molecular Methods in Applied Chemistry, 201-249, 2011
242011
Diffusion in multicomponent liquids: From microscopic to macroscopic scales
G Guevara-Carrion, Y Gaponenko, T Janzen, J Vrabec, V Shevtsova
The Journal of Physical Chemistry B 120 (47), 12193-12210, 2016
232016
Lennard-Jones force field parameters for cyclic alkanes from cyclopropane to cyclohexane
YM Muñoz-Muñoz, G Guevara-Carrion, M Llano-Restrepo, J Vrabec
Fluid Phase Equilibria 404, 150-160, 2015
212015
Prediction of transport properties of liquid ammonia and its binary mixture with methanol by molecular simulation
G Guevara-Carrion, J Vrabec, H Hasse
International Journal of Thermophysics 33 (3), 449-468, 2012
212012
Mutual diffusion governed by kinetics and thermodynamics in the partially miscible mixture methanol+ cyclohexane
T Janzen, S Zhang, A Mialdun, G Guevara-Carrion, J Vrabec, M He, ...
Physical Chemistry Chemical Physics 19 (47), 31856-31873, 2017
202017
Molecular insight into the liquid propan-2-ol+ water mixture
YM Muñoz-Muñoz, G Guevara-Carrion, J Vrabec
The Journal of Physical Chemistry B 122 (37), 8718-8729, 2018
142018
On the prediction of transport properties of monomethylamine, dimethylamine, dimethylether and hydrogen chloride by molecular simulation
G Guevara-Carrion, J Vrabec, H Hasse
Fluid phase equilibria 316, 46-54, 2012
122012
Diffusion of methane in supercritical carbon dioxide across the Widom line
G Guevara-Carrion, S Ancherbak, A Mialdun, J Vrabec, V Shevtsova
Scientific reports 9 (1), 1-14, 2019
112019
Interplay of structure and diffusion in ternary liquid mixtures of benzene+ acetone+ varying alcohols
G Guevara-Carrion, Y Gaponenko, A Mialdun, T Janzen, V Shevtsova, ...
The Journal of chemical physics 149 (6), 064504, 2018
92018
The effect of alcohols as the third component on diffusion in mixtures of aromatics and ketones
T Janzen, Y Gaponenko, A Mialdun, G Guevara-Carrion, J Vrabec, ...
RSC advances 8 (18), 10017-10022, 2018
82018
Multiscale Molecular Methods in Applied Chemistry
G Guevara-Carrion, H Hasse, J Vrabec
Springer: Berlin, 2012
72012
Molecular modeling of hydrogen bonding fluids: New cyclohexanol model and transport properties of short monohydric alcohols
T Merker, G Guevara-Carrión, J Vrabec, H Hasse
High Performance Computing in Science and Engineering'08, 529-541, 2009
72009
ms2: Ein Werkzeug zur Berechnung thermodynamischer Stoffeigenschaften mittels molekularer Simulation
S Deublein, B Eckl, J Stoll, SV Lishchuk, G Guevara‐Carrion, CW Glass, ...
Chemie Ingenieur Technik 1 (84), 114-120, 2012
52012
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