Solubility of Sodium Chloride in Supercritical Water: A Molecular Dynamics Study

S. T. Cui; J. G. Harris

doi:10.1021/j100009a054

Solubility of Sodium Chloride in Supercritical Water: A Molecular Dynamics Study

The Journal of Physical Chemistry ◽

10.1021/j100009a054 ◽

1995 ◽

Vol 99 (9) ◽

pp. 2900-2906 ◽

Cited By ~ 29

Author(s):

S. T. Cui ◽

J. G. Harris

Keyword(s):

Molecular Dynamics ◽

Sodium Chloride ◽

Supercritical Water

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Ion association and liquid structure in supercritical water solutions of sodium chloride: a microscopic view from molecular dynamics simulations

Chemical Engineering Science ◽

10.1016/0009-2509(94)e0095-8 ◽

1994 ◽

Vol 49 (17) ◽

pp. 2749-2763 ◽

Cited By ~ 51

Author(s):

S.T. Cui ◽

J.G. Harris

Keyword(s):

Molecular Dynamics ◽

Sodium Chloride ◽

Molecular Dynamics Simulations ◽

Supercritical Water ◽

Ion Association ◽

Liquid Structure ◽

Water Solutions ◽

Dynamics Simulations

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Solubility of Sodium in Sodium Chloride: A Density Functional Theory Molecular Dynamics Study

Journal of The Electrochemical Society ◽

10.1149/2.007408jes ◽

2014 ◽

Vol 161 (8) ◽

pp. E3042-E3048 ◽

Cited By ~ 9

Author(s):

Maoyuan Liu ◽

Patrick Masset ◽

Angus Gray-Weale

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Sodium Chloride ◽

Density Functional ◽

Functional Theory

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H2 and CO production through coking wastewater in supercritical water condition: ReaxFF reactive molecular dynamics simulation

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2017.03.164 ◽

2017 ◽

Vol 42 (15) ◽

pp. 9667-9678 ◽

Cited By ~ 17

Author(s):

Dandan Jiang ◽

Yan Wang ◽

Ming Zhang ◽

Jinli Zhang ◽

Wei Li ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Water ◽

Dynamics Simulation ◽

Coking Wastewater ◽

Water Condition ◽

Reactive Molecular Dynamics

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Solvation shell dynamics of supercritical water–cyclohexane mixtures in relation to the translational and rotational dynamics as studied by molecular dynamics simulation

AIP Advances ◽

10.1063/5.0057093 ◽

2021 ◽

Vol 11 (7) ◽

pp. 075219

Author(s):

Ken Yoshida ◽

Haruka Yoshioka

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Water ◽

Solvation Shell ◽

Rotational Dynamics ◽

Dynamics Simulation ◽

Shell Dynamics

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Heterogeneous yielding mechanisms of body centered cubic iron for high resistance to chemical reaction-induced deterioration in supercritical water environments: A reactive molecular dynamics study

Scripta Materialia ◽

10.1016/j.scriptamat.2021.113997 ◽

2021 ◽

Vol 202 ◽

pp. 113997

Author(s):

Qian Chen ◽

Jing Zhang ◽

Zhongmin Liu ◽

Yang Wang ◽

Yusuke Ootani ◽

...

Keyword(s):

Molecular Dynamics ◽

Chemical Reaction ◽

Supercritical Water ◽

High Resistance ◽

Body Centered Cubic ◽

Reactive Molecular Dynamics

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Heterogeneous character of supercritical water at 400 °C and different densities unveiled by simulation

RSC Advances ◽

10.1039/c5ra25067f ◽

2016 ◽

Vol 6 (36) ◽

pp. 30484-30487 ◽

Cited By ~ 4

Author(s):

Noureddine Metatla ◽

Fabien Lafond ◽

Jean-Paul Jay-Gerin ◽

Armand Soldera

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Supercritical Water ◽

Dynamics Simulations ◽

Clustering Behavior

Molecular dynamics simulations are used to examine the molecular microstructures and the “clustering” behavior of supercritical water at 400 °C and different densities.

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Molecular dynamics simulation on ion-pair association of NaCl from ambient to supercritical water

Fluid Phase Equilibria ◽

10.1016/j.fluid.2010.05.012 ◽

2010 ◽

Vol 297 (2) ◽

pp. 227-235 ◽

Cited By ~ 26

Author(s):

Kazuko Yui ◽

Masaki Sakuma ◽

Toshitaka Funazukuri

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Water ◽

Ion Pair ◽

Dynamics Simulation

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The effect of water models on the interaction of the sodium–chloride ion pair in water: Molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.459714 ◽

1990 ◽

Vol 93 (10) ◽

pp. 7528-7529 ◽

Cited By ~ 54

Author(s):

Liem X. Dang ◽

Julia E. Rice ◽

Peter A. Kollman

Keyword(s):

Molecular Dynamics ◽

Sodium Chloride ◽

Molecular Dynamics Simulations ◽

Chloride Ion ◽

Ion Pair ◽

Effect Of Water ◽

Water Models ◽

Dynamics Simulations

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Molecular dynamics simulation study of hydration of uranyl nitrate in supercritical water: Dissecting the effect of uranyl ion concentration from solvent density

Chemical Physics ◽

10.1016/j.chemphys.2017.09.001 ◽

2017 ◽

Vol 495 ◽

pp. 48-58 ◽

Cited By ~ 2

Author(s):

Manish Chopra ◽

Niharendu Choudhury

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Water ◽

Simulation Study ◽

Uranyl Nitrate ◽

Uranyl Ion ◽

Ion Concentration ◽

Dynamics Simulation ◽

Solvent Density

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Molecular Dynamics Study on the Density Fluctuation of Supercritical Water.

Journal of Computer Chemistry Japan ◽

10.2477/jccj.1.83 ◽

2002 ◽

Vol 1 (3) ◽

pp. 83-88 ◽

Cited By ~ 4

Author(s):

Kazuyoshi UEDA ◽

Taro KOMAI ◽

Isseki YU ◽

Haruo NAKAYAMA

Keyword(s):

Molecular Dynamics ◽

Supercritical Water ◽

Density Fluctuation

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