Molecular Simulations of Liquid and Supercritical Water: Thermodynamics, Structure, and Hydrogen Bonding

A. G. Kalinichev

doi:10.2138/rmg.2001.42.4

Molecular Simulations of Liquid and Supercritical Water: Thermodynamics, Structure, and Hydrogen Bonding

Reviews in Mineralogy and Geochemistry ◽

10.2138/rmg.2001.42.4 ◽

2001 ◽

Vol 42 (1) ◽

pp. 83-129 ◽

Cited By ~ 63

Author(s):

A. G. Kalinichev

Keyword(s):

Hydrogen Bonding ◽

Supercritical Water ◽

Molecular Simulations

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4. Molecular Simulations of Liquid and Supercritical Water: Thermodynamics, Structure, and Hydrogen Bonding

Molecular Modeling Theory ◽

10.1515/9781501508721-007 ◽

2001 ◽

pp. 83-130 ◽

Cited By ~ 8

Author(s):

Andrey G. Kalinichev

Keyword(s):

Hydrogen Bonding ◽

Supercritical Water ◽

Molecular Simulations

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Double Resonance NMR and Molecular Simulations of Hydrofluorocarbon Binding on Faujasite Zeolites NaX and NaY: the Importance of Hydrogen Bonding in Controlling Adsorption Geometries

The Journal of Physical Chemistry B ◽

10.1021/jp0045989 ◽

2001 ◽

Vol 105 (41) ◽

pp. 9918-9929 ◽

Cited By ~ 17

Author(s):

Kwang Hun Lim ◽

Fabien Jousse ◽

Scott M. Auerbach ◽

Clare P. Grey

Keyword(s):

Hydrogen Bonding ◽

Double Resonance ◽

Molecular Simulations

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A Molecular Dynamics Investigation of Hydrogen Bonding in Supercritical Water

Innovations in Supercritical Fluids - ACS Symposium Series ◽

10.1021/bk-1995-0608.ch003 ◽

1995 ◽

pp. 47-64 ◽

Cited By ~ 5

Author(s):

Tahmid I. Mizan ◽

Phillip E. Savage ◽

Robert M. Ziff

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bonding ◽

Supercritical Water

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Effect of the local hydrogen bonding network on the reorientational and translational dynamics in supercritical water

The Journal of Chemical Physics ◽

10.1063/1.3305326 ◽

2010 ◽

Vol 132 (7) ◽

pp. 074502 ◽

Cited By ~ 23

Author(s):

Ioannis Skarmoutsos ◽

Elvira Guardia

Keyword(s):

Hydrogen Bonding ◽

Supercritical Water ◽

Hydrogen Bonding Network

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Hydrogen Bonding in Supercritical Water. 1. Experimental Results

The Journal of Physical Chemistry ◽

10.1021/j100015a016 ◽

1995 ◽

Vol 99 (15) ◽

pp. 5336-5340 ◽

Cited By ~ 124

Author(s):

Yu. E. Gorbaty ◽

A. G. Kalinichev

Keyword(s):

Hydrogen Bonding ◽

Supercritical Water ◽

Experimental Results

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Local structural fluctuations, hydrogen bonding and structural transitions in supercritical water

The Journal of Supercritical Fluids ◽

10.1016/j.supflu.2017.08.004 ◽

2017 ◽

Vol 130 ◽

pp. 156-164 ◽

Cited By ~ 14

Author(s):

Ioannis Skarmoutsos ◽

Elvira Guardia ◽

Jannis Samios

Keyword(s):

Hydrogen Bonding ◽

Supercritical Water ◽

Structural Transitions ◽

Structural Fluctuations

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Molecular simulations of poly(2,5-benzimidazole): Effect of water concentration, phosphoric acid doping, and temperature on hydrogen bonding and vehicular diffusion

Polymer Engineering & Science ◽

10.1002/pen.23295 ◽

2012 ◽

Vol 53 (3) ◽

pp. 597-608 ◽

Cited By ~ 12

Author(s):

Shuo Li ◽

J.R. Fried ◽

John Colebrook

Keyword(s):

Hydrogen Bonding ◽

Phosphoric Acid ◽

Molecular Simulations ◽

Water Concentration ◽

Effect Of Water

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The molecular dynamics simulation of hydrogen bonding in supercritical water

Physica A Statistical Mechanics and its Applications ◽

10.1016/j.physa.2018.10.022 ◽

2019 ◽

Vol 516 ◽

pp. 365-375 ◽

Cited By ~ 6

Author(s):

Xin Yang ◽

Ke Cheng ◽

Guo-zhu Jia

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bonding ◽

Molecular Dynamics Simulation ◽

Supercritical Water ◽

Dynamics Simulation

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D/H fractionation in the H2–H2O system at supercritical water conditions: Compositional and hydrogen bonding effects

Geochimica et Cosmochimica Acta ◽

10.1016/j.gca.2012.03.003 ◽

2012 ◽

Vol 86 ◽

pp. 88-102 ◽

Cited By ~ 18

Author(s):

Dionysis I. Foustoukos ◽

Bjorn O. Mysen

Keyword(s):

Hydrogen Bonding ◽

Supercritical Water ◽

Water Conditions

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An in situ Raman spectroscopy study of subcritical and supercritical water: The peculiarity of hydrogen bonding near the critical point

The Journal of Chemical Physics ◽

10.1063/1.475996 ◽

1998 ◽

Vol 108 (14) ◽

pp. 5855-5860 ◽

Cited By ~ 130

Author(s):

Yutaka Ikushima ◽

Kiyotaka Hatakeda ◽

Norio Saito ◽

Masahiko Arai

Keyword(s):

Raman Spectroscopy ◽

Hydrogen Bonding ◽

Critical Point ◽

Supercritical Water ◽

Spectroscopy Study ◽

In Situ Raman Spectroscopy ◽

In Situ Raman

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