Computing the Soret coefficient in aqueous mixtures using boundary driven nonequilibrium molecular dynamics

Carlos Nieto-Draghi; Josep Bonet Ávalos; Bernard Rousseau

doi:10.1063/1.1863872

Computing the Soret coefficient in aqueous mixtures using boundary driven nonequilibrium molecular dynamics

The Journal of Chemical Physics ◽

10.1063/1.1863872 ◽

2005 ◽

Vol 122 (11) ◽

pp. 114503 ◽

Cited By ~ 33

Author(s):

Carlos Nieto-Draghi ◽

Josep Bonet Ávalos ◽

Bernard Rousseau

Keyword(s):

Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics ◽

Soret Coefficient ◽

Aqueous Mixtures

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Reverse nonequilibrium molecular-dynamics calculation of the Soret coefficient in liquid benzene/cyclohexane mixtures

The Journal of Chemical Physics ◽

10.1063/1.2042427 ◽

2005 ◽

Vol 123 (12) ◽

pp. 124502 ◽

Cited By ~ 24

Author(s):

Meimei Zhang ◽

Florian Müller-Plathe

Keyword(s):

Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics ◽

Soret Coefficient ◽

Liquid Benzene ◽

Dynamics Calculation

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Soret coefficient for liquid argon-krypton mixtures via equilibrium and nonequilibrium molecular dynamics: A comparison with experiments

Physical Review E ◽

10.1103/physreve.66.031201 ◽

2002 ◽

Vol 66 (3) ◽

Cited By ~ 27

Author(s):

A. Perronace ◽

G. Ciccotti ◽

F. Leroy ◽

A. H. Fuchs ◽

B. Rousseau

Keyword(s):

Molecular Dynamics ◽

Liquid Argon ◽

Nonequilibrium Molecular Dynamics ◽

Soret Coefficient ◽

Comparison With Experiments

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Reverse Nonequilibrium Molecular Dynamics Calculation of the Soret Coefficient in Liquid Heptane/Benzene Mixtures

The Journal of Physical Chemistry B ◽

10.1021/jp805449j ◽

2008 ◽

Vol 112 (47) ◽

pp. 14999-15004 ◽

Cited By ~ 10

Author(s):

Pavel Polyakov ◽

Florian Müller-Plathe ◽

Simone Wiegand

Keyword(s):

Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics ◽

Soret Coefficient ◽

Dynamics Calculation

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Nonequilibrium Molecular Dynamics

10.1017/9781139017848 ◽

2017 ◽

Cited By ~ 25

Author(s):

Billy D. Todd ◽

Peter J. Daivis

Keyword(s):

Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics

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Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

1997 ◽

Vol 101 (27) ◽

pp. 5026-5026

Author(s):

Maija Lahtela ◽

Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations

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NONEQUILIBRIUM MOLECULAR DYNAMICS STUDY ON INTERFACE HEAT AND MASS TRANSFER

Equipment ◽

10.1615/ihtc13.p8.280 ◽

2006 ◽

Author(s):

G. Nagayama ◽

M. Matsuo ◽

T. Tsuruta

Keyword(s):

Molecular Dynamics ◽

Mass Transfer ◽

Heat And Mass Transfer ◽

Nonequilibrium Molecular Dynamics ◽

Interface Heat

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On the Soret effect of a simple binary mixture in bulk fluid and in porous medium, a NonEquilibrium Molecular Dynamics approach

10.1615/ihtc12.4000 ◽

2002 ◽

Author(s):

Guillaume Galliéro ◽

Bernard Duguay ◽

Jean-Paul Caltagirone ◽

Francois Montel

Keyword(s):

Molecular Dynamics ◽

Porous Medium ◽

Binary Mixture ◽

Soret Effect ◽

Nonequilibrium Molecular Dynamics ◽

Bulk Fluid

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Investigation of Thermal Resistance and Heat Conduction at α-quartz -liquid Alkane Interfaces Using Nonequilibrium Molecular Dynamics Simulations

Proceedings of the 15th International Heat Transfer Conference ◽

10.1615/ihtc15.nmm.009459 ◽

2014 ◽

Author(s):

Hari Krishna Chilukoti ◽

Gota Kikugawa ◽

Masahiko Shibahara ◽

Taku Ohara

Keyword(s):

Molecular Dynamics ◽

Heat Conduction ◽

Thermal Resistance ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Dynamics Simulations

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A NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION ON THE CONDENSATION RATE OF ARGON

10.1615/tfec2018.fmp.024312 ◽

2018 ◽

Author(s):

T. B. Wang ◽

Y. S. Zhou ◽

Min Chen

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Condensation Rate ◽

Nonequilibrium Molecular Dynamics Simulation

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Faculty Opinions recommendation of Principal component analysis of nonequilibrium molecular dynamics simulations.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.735899830.793561013 ◽

2019 ◽

Author(s):

Jeremy C Smith

Keyword(s):

Molecular Dynamics ◽

Principal Component Analysis ◽

Molecular Dynamics Simulations ◽

Principal Component ◽

Component Analysis ◽

Nonequilibrium Molecular Dynamics ◽

Dynamics Simulations

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