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Scopus Author ID: 25931330100

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Germany

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Employment (1)

Technical University of Berlin: Berlin, DE

2018-04-01 to present | Pos doctoral researcher (Thermodynamics)
Employment
Source: Self-asserted source
Gabriela Guevara-Carrion

Education and qualifications (1)

University of Kaiserslautern: Kaiserslautern, Rheinland-Pfalz, DE

2011 | PhD (Thermodynamics)
Qualification
Source: Self-asserted source
Gabriela Guevara-Carrion

Works (40)

ms2: A molecular simulation tool for thermodynamic properties, release 5.0

Computer Physics Communications
2025-05 | Journal article
DOI: 10.1016/j.cpc.2025.109541
Contributors: Isabel Nitzke; Gabriela Guevara-Carrion; Denis Saric; Simon Homes; Simon Stephan; Robin Fingerhut; Martin Bernreuther; Hans Hasse; Jadran Vrabec
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Crossref

Fick and Maxwell-Stefan diffusion of the liquid mixture cyclohexane + toluene + acetone + methanol and its subsystems

Chemical Engineering Science
2025-01 | Journal article
DOI: 10.1016/j.ces.2024.120662
Contributors: Yuqi Su; Denis Saric; Gabriela Guevara-Carrion; Ying Zhang; Maogang He; Jadran Vrabec
Source: check_circle
Crossref

Influence of repulsion on entropy scaling and density scaling of monatomic fluids

The Journal of Chemical Physics
2024-03-14 | Journal article
DOI: 10.1063/5.0196592
Contributors: Denis Saric; Ian H. Bell; Gabriela Guevara-Carrion; Jadran Vrabec
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Crossref

Epistemic Metadata for Computational Engineering Information Systems

Frontiers in Artificial Intelligence and Applications
2023-12-21 | Book chapter
DOI: 10.3233/faia231136
Part of ISBN: 9781643684680
Part of ISBN: 9781643684697
Part of ISSN: 0922-6389
Part of ISSN: 1879-8314
Contributors: Martin Thomas Horsch; Silvia Chiacchiera; Gabriela Guevara Carrión; Maximilian Kohns; Erich A. Müller; Denis Šarić; Simon Stephan; Ilian T. Todorov; Jadran Vrabec; Björn Schembera
Source: Self-asserted source
Gabriela Guevara-Carrion

Diffusion of hydrocarbons diluted in supercritical carbon dioxide

Scientific Reports
2023-09-26 | Journal article
DOI: 10.1038/s41598-023-42892-7
Part of ISSN: 2045-2322
Contributors: Denis Saric; Gabriela Guevara-Carrion; Yury Gaponenko; Valentina Shevtsova; Jadran Vrabec
Source: Self-asserted source
Gabriela Guevara-Carrion

Diffusion in liquid mixtures

npj Microgravity
2023-01-16 | Journal article
DOI: 10.1038/s41526-022-00246-z
Contributors: A. Vailati; H. Bataller; M. M. Bou-Ali; M. Carpineti; R. Cerbino; F. Croccolo; S. U. Egelhaaf; F. Giavazzi; C. Giraudet; G. Guevara-Carrion et al.
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Mass Transport Across Droplet Interfaces by Atomistic Simulations

Fluid Mechanics and its Applications
2022 | Book chapter
DOI: 10.1007/978-3-031-09008-0_13
EID:

2-s2.0-85137609515

Part of ISSN: 22150056 09265112
Contributors: Heinen, M.; Homes, S.; Guevara-Carrion, G.; Vrabec, J.
Source: Self-asserted source
Gabriela Guevara-Carrion via Scopus - Elsevier

Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state

ChemRxiv
2022 | Other
DOI: 10.26434/chemrxiv-2022-56xw9
EID:

2-s2.0-85136331746

Part of ISSN: 25732293
Contributors: Zimmermann, N.E.R.; Guevara-Carrion, G.; Vrabec, J.; Hansen, N.
Source: Self-asserted source
Gabriela Guevara-Carrion via Scopus - Elsevier

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

Advanced Theory and Simulations
2022 | Journal article
DOI: 10.1002/adts.202200311
EID:

2-s2.0-85134605917

Part of ISSN: 25130390
Contributors: Zimmermann, N.E.R.; Guevara-Carrion, G.; Vrabec, J.; Hansen, N.
Source: Self-asserted source
Gabriela Guevara-Carrion via Scopus - Elsevier

Sampling the Bulk Viscosity of Water with Molecular Dynamics Simulation in the Canonical Ensemble

Journal of Physical Chemistry B
2022 | Journal article
DOI: 10.1021/acs.jpcb.2c06035
EID:

2-s2.0-85143506530

Part of ISSN: 15205207 15206106
Contributors: Hafner, R.; Guevara-Carrion, G.; Vrabec, J.; Klein, P.
Source: Self-asserted source
Gabriela Guevara-Carrion via Scopus - Elsevier

Thermodynamics of supercritical carbon dioxide mixtures across the Widom line

Physical Chemistry Chemical Physics
2022 | Journal article
DOI: 10.1039/D2CP02701A
Contributors: Denis Saric; Gabriela Guevara-Carrion; Jadran Vrabec
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Diffusion of the carbon dioxide–ethanol mixture in the extended critical region

Physical Chemistry Chemical Physics
2021 | Journal article
DOI: 10.1039/D0CP04985A
Contributors: René Spencer Chatwell; Gabriela Guevara-Carrion; Yuri Gaponenko; Valentina Shevtsova; Jadran Vrabec
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Diffusion in multicomponent aqueous alcoholic mixtures

Scientific Reports
2021-12 | Journal article
DOI: 10.1038/s41598-021-91727-w
Part of ISSN: 2045-2322
Source: Self-asserted source
Gabriela Guevara-Carrion
grade
Preferred source (of 2)‎

Density and Partial Molar Volumes of the Liquid Mixture Water + Methanol + Ethanol + 2-Propanol at 298.15 K and 0.1 MPa

Journal of Chemical & Engineering Data
2021-06-10 | Journal article
DOI: 10.1021/acs.jced.1c00070
Contributors: Gabriela Guevara-Carrion; Robin Fingerhut; Jadran Vrabec
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ms2: A molecular simulation tool for thermodynamic properties, release 4.0

Computer Physics Communications
2021-05 | Journal article
DOI: 10.1016/j.cpc.2021.107860
Contributors: Robin Fingerhut; Gabriela Guevara-Carrion; Isabel Nitzke; Denis Saric; Joshua Marx; Kai Langenbach; Sergei Prokopev; David Celný; Martin Bernreuther; Simon Stephan et al.
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Fick Diffusion Coefficient Matrix of a Quaternary Liquid Mixture by Molecular Dynamics

The Journal of Physical Chemistry B
2020-06-04 | Journal article
DOI: 10.1021/acs.jpcb.0c01625
Contributors: Gabriela Guevara-Carrion; Robin Fingerhut; Jadran Vrabec
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Crossref
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Diffusion of methane in supercritical carbon dioxide across the Widom line

Scientific Reports
2019-06-11 | Journal article
DOI: 10.1038/s41598-019-44687-1
Contributors: Gabriela Guevara-Carrion; Sergiy Ancherbak; Aliaksandr Mialdun; Jadran Vrabec; Valentina Shevtsova
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The effect of alcohols as the third component on diffusion in mixtures of aromatics and ketones

RSC Advances
2018 | Journal article
DOI: 10.1039/c8ra01007b
EID:

2-s2.0-85044041553

Part of ISSN: 20462069
Contributors: Janzen, T.; Gaponenko, Y.; Mialdun, A.; Guevara-Carrion, G.; Vrabec, J.; Shevtsova, V.
Source: Self-asserted source
Gabriela Guevara-Carrion via Scopus - Elsevier

Molecular Insight into the Liquid Propan-2-ol + Water Mixture

The Journal of Physical Chemistry B
2018-09-20 | Journal article
DOI: 10.1021/acs.jpcb.8b05610
Contributors: Y. Mauricio Muñoz-Muñoz; Gabriela Guevara-Carrion; Jadran Vrabec
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Interplay of structure and diffusion in ternary liquid mixtures of benzene + acetone + varying alcohols

The Journal of Chemical Physics
2018-08-14 | Journal article
DOI: 10.1063/1.5044431
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Source: Self-asserted source
Gabriela Guevara-Carrion
grade
Preferred source (of 2)‎

Molecular simulation study of transport properties for 20 binary liquid mixtures and new force Fields for Benzene, Toluene and CCl<sub>4</sub>

High Performance Computing in Science and Engineering '16: Transactions of the High Performance Computing Center Stuttgart (HLRS) 2016
2017 | Book chapter
Part of DOI: 10.1007/978-3-319-47066-5_42
EID:

2-s2.0-85070944321
Contributors: Guevara-Carrion, G.; Janzen, T.; Muñoz-Muñoz, Y.M.; Vrabec, J.
Source: Self-asserted source
Gabriela Guevara-Carrion via Scopus - Elsevier

ms2: A molecular simulation tool for thermodynamic properties, release 3.0

Computer Physics Communications
2017-12 | Journal article
DOI: 10.1016/j.cpc.2017.07.025
Part of ISSN: 0010-4655
Source: Self-asserted source
Gabriela Guevara-Carrion
grade
Preferred source (of 2)‎

Mutual diffusion governed by kinetics and thermodynamics in the partially miscible mixture methanol + cyclohexane.

Physical chemistry chemical physics : PCCP
2017-12 | Journal article
DOI: 10.1039/c7cp06515a
PMID: 29171844
Contributors: Janzen T; Zhang S; Mialdun A; Guevara-Carrion G; Vrabec J; He M; Shevtsova V
Source: Self-asserted source
Gabriela Guevara-Carrion via Europe PubMed Central
grade
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Diffusion in Multicomponent Liquids: From Microscopic to Macroscopic Scales.

The journal of physical chemistry. B
2016-12 | Journal article
DOI: 10.1021/acs.jpcb.6b09810
PMID: 27933944
Contributors: Guevara-Carrion G; Gaponenko Y; Janzen T; Vrabec J; Shevtsova V
Source: Self-asserted source
Gabriela Guevara-Carrion via Europe PubMed Central
grade
Preferred source (of 2)‎

Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride.

The Journal of chemical physics
2016-03 | Journal article
DOI: 10.1063/1.4943395
PMID: 27036455
Contributors: Guevara-Carrion G; Janzen T; Muñoz-Muñoz YM; Vrabec J
Source: Self-asserted source
Gabriela Guevara-Carrion via Europe PubMed Central
grade
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Lennard-Jones force field parameters for cyclic alkanes from cyclopropane to cyclohexane

Fluid Phase Equilibria
2015 | Journal article
DOI: 10.1016/j.fluid.2015.06.033
EID:

2-s2.0-84937802949

Part of ISSN: 03783812
Contributors: Muñoz-Muñoz, Y.M.; Guevara-Carrion, G.; Llano-Restrepo, M.; Vrabec, J.
Source: Self-asserted source
Gabriela Guevara-Carrion via Scopus - Elsevier

Mutual diffusion of binary and ternary liquid mixtures containing acetone, benzene, cyclohexane, methanol, tetrachloromethane, and toluene by molecular simulation

Chemie-Ingenieur-Technik
2015 | Other
DOI: 10.1002/cite.201550005
EID:

2-s2.0-84941299778

Part of ISSN: 15222640 0009286X
Contributors: Janzen, T.; Guevara-Carrión, G.; Vrabec, J.
Source: Self-asserted source
Gabriela Guevara-Carrion via Scopus - Elsevier

Ms 2: A molecular simulation tool for thermodynamic properties, new version release

Computer Physics Communications
2014 | Journal article
DOI: 10.1016/j.cpc.2014.07.012
EID:

2-s2.0-84908116490

Part of ISSN: 00104655
Contributors: Glass, C.W.; Reiser, S.; Rutkai, G.; Deublein, S.; Köster, A.; Guevara-Carrion, G.; Wafai, A.; Horsch, M.; Bernreuther, M.; Windmann, T. et al.
Source: Self-asserted source
Gabriela Guevara-Carrion via Scopus - Elsevier

Mutual diffusion in the ternary mixture of water + methanol + ethanol and its binary subsystems.

Physical chemistry chemical physics : PCCP
2013-03 | Journal article
DOI: 10.1039/c3cp43785j
PMID: 23400088
Contributors: Parez S; Guevara-Carrion G; Hasse H; Vrabec J
Source: Self-asserted source
Gabriela Guevara-Carrion via Europe PubMed Central
grade
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Molecular modeling of hydrogen bonding fluids: Phase behavior of industrial fluids

High Performance Computing in Science and Engineering 2011 - Transactions of the High Performance Computing Center, Stuttgart, HLRS 2011
2012 | Conference paper
DOI: 10.1007/978-3-642-23869-7_41
EID:

2-s2.0-84930335264
Contributors: Eckelsbach, S.; Bernreuther, M.; Engin, C.; Guevara-Carrion, G.; Huang, Y.-L.; Merker, T.; Hasse, H.; Vrabec, J.
Source: Self-asserted source
Gabriela Guevara-Carrion via Scopus - Elsevier

Ms2: A molecular simulation tool for thermodynamic properties,Ms2: Ein Werkzeug zur Berechnung thermodynamischer Stoffeigenschaften mittels molekularer Simulation

Chemie-Ingenieur-Technik
2012 | Journal article
DOI: 10.1002/cite.201100079
EID:

2-s2.0-84856399011

Part of ISSN: 0009286X 15222640
Contributors: Deublein, S.; Eckl, B.; Stoll, J.; Lishchuk, S.V.; Guevara-Carrion, G.; Glass, C.W.; Merker, T.; Bernreuther, M.; Hasse, H.; Vrabec, J.
Source: Self-asserted source
Gabriela Guevara-Carrion via Scopus - Elsevier

On the prediction of transport properties of monomethylamine, dimethylamine, dimethylether and hydrogen chloride by molecular simulation

Fluid Phase Equilibria
2012 | Journal article
DOI: 10.1016/j.fluid.2011.12.009
EID:

2-s2.0-84856397970

Part of ISSN: 03783812
Contributors: Guevara-Carrion, G.; Vrabec, J.; Hasse, H.
Source: Self-asserted source
Gabriela Guevara-Carrion via Scopus - Elsevier

Prediction of transport properties of liquid ammonia and its binary mixture with methanol by molecular simulation

International Journal of Thermophysics
2012 | Journal article
DOI: 10.1007/s10765-012-1166-4
EID:

2-s2.0-84862121217

Part of ISSN: 0195928X
Contributors: Guevara-Carrion, G.; Vrabec, J.; Hasse, H.
Source: Self-asserted source
Gabriela Guevara-Carrion via Scopus - Elsevier

Thermodynamic properties for applications in chemical industry via classical force fields

Topics in Current Chemistry
2012 | Book
DOI: 10.1007/128-2011_164
EID:

2-s2.0-81855166716

Part of ISSN: 03401022
Contributors: Guevara-Carrion, G.; Hasse, H.; Vrabec, J.
Source: Self-asserted source
Gabriela Guevara-Carrion via Scopus - Elsevier

Thermodynamic properties for applications in chemical industry via classical force fields.

Topics in current chemistry
2012 | Journal article
DOI: 10.1007/128_2011_164
PMID: 21678137
Contributors: Guevara-Carrion G; Hasse H; Vrabec J
Source: Self-asserted source
Gabriela Guevara-Carrion via Europe PubMed Central

Molecular modeling of hydrogen bonding fluids: Transport properties and vapor-liquid coexistence

High Performance Computing in Science and Engineering 2010 - Transactions of the High Performance Computing Center, Stuttgart, HLRS 2010
2011 | Conference paper
DOI: 10.1007/978-3-642-15748-6_39
EID:

2-s2.0-84883106303
Contributors: Vrabec, J.; Guevara-Carrion, G.; Merker, T.; Hasse, H.
Source: Self-asserted source
Gabriela Guevara-Carrion via Scopus - Elsevier

ms2: A molecular simulation tool for thermodynamic properties

Computer Physics Communications
2011-11 | Journal article
DOI: 10.1016/j.cpc.2011.04.026
Part of ISSN: 0010-4655
Source: Self-asserted source
Gabriela Guevara-Carrion
grade
Preferred source (of 2)‎

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

The Journal of chemical physics
2011-02 | Journal article
DOI: 10.1063/1.3515262
PMID: 21341860
Contributors: Guevara-Carrion G; Vrabec J; Hasse H
Source: Self-asserted source
Gabriela Guevara-Carrion via Europe PubMed Central
grade
Preferred source (of 2)‎

Molecular modeling of hydrogen bonding fluids: New cyclohexanol model and transport properties of short monohydric alcohols

High Performance Computing in Science and Engineering 2008 - Transactions of the High Performance Computing Center Stuttgart, HLRS 2008
2009 | Conference paper
DOI: 10.1007/978-3-540-88303-6_37
EID:

2-s2.0-84883111638
Contributors: Merker, T.; Guevara-Carrión, G.; Vrabec, J.; Hasse, H.
Source: Self-asserted source
Gabriela Guevara-Carrion via Scopus - Elsevier

Prediction of transport properties by molecular simulation: methanol and ethanol and their mixture.

The journal of physical chemistry. B
2008-12 | Journal article
DOI: 10.1021/jp805584d
PMID: 19367909
Contributors: Guevara-Carrion G; Nieto-Draghi C; Vrabec J; Hasse H
Source: Self-asserted source
Gabriela Guevara-Carrion via Europe PubMed Central
grade
Preferred source (of 2)‎

Peer review (4 reviews for 4 publications/grants)

Review activity for Heliyon. (1)
Review activity for International Journal of Heat and Mass Transfer. (1)
Review activity for Physics of fluids. (1)
Review activity for The European physical journal. (1)
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