Chemical reactivity and phase behavior of NH4Cl by molecular dynamics simulations. II. The liquid–vapor coexistence curve

Yves Guissani; Bertrand Guillot

doi:10.1063/1.1431592

Chemical reactivity and phase behavior of NH4Cl by molecular dynamics simulations. II. The liquid–vapor coexistence curve

The Journal of Chemical Physics ◽

10.1063/1.1431592 ◽

2002 ◽

Vol 116 (5) ◽

pp. 2058-2066 ◽

Cited By ~ 2

Author(s):

Yves Guissani ◽

Bertrand Guillot

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Phase Behavior ◽

Chemical Reactivity ◽

Coexistence Curve ◽

Dynamics Simulations ◽

Liquid Vapor

Download Full-text

Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model

The Journal of Chemical Physics ◽

10.1063/1.3200869 ◽

2009 ◽

Vol 131 (8) ◽

pp. 084709 ◽

Cited By ~ 33

Author(s):

Brad A. Bauer ◽

Sandeep Patel

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Coexistence Curve ◽

Water Model ◽

Dynamics Simulations ◽

Liquid Vapor

Download Full-text

Chemical reactivity and phase behavior of NH4Cl by molecular dynamics simulations. I. Solid–solid and solid–fluid equilibria

The Journal of Chemical Physics ◽

10.1063/1.1431591 ◽

2002 ◽

Vol 116 (5) ◽

pp. 2047-2057 ◽

Cited By ~ 9

Author(s):

Bertrand Guillot ◽

Yves Guissani

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Phase Behavior ◽

Chemical Reactivity ◽

Dynamics Simulations

Download Full-text

Structure, thermodynamics, and liquid-vapor equilibrium of ethanol from molecular-dynamics simulations using nonadditive interactions

The Journal of Chemical Physics ◽

10.1063/1.2009730 ◽

2005 ◽

Vol 123 (16) ◽

pp. 164502 ◽

Cited By ~ 51

Author(s):

Sandeep Patel ◽

Charles L. Brooks

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Vapor Equilibrium ◽

Dynamics Simulations ◽

Liquid Vapor

Download Full-text

Molecular dynamics simulations of aqueous ions at the liquid-vapor interface accelerated using graphics processors

Journal of Computational Chemistry ◽

10.1002/jcc.21578 ◽

2010 ◽

Vol 32 (3) ◽

pp. 375-385 ◽

Cited By ~ 25

Author(s):

Brad A. Bauer ◽

Joseph E. Davis ◽

Michela Taufer ◽

Sandeep Patel

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Graphics Processors ◽

Vapor Interface ◽

Aqueous Ions ◽

Dynamics Simulations ◽

Liquid Vapor

Download Full-text

Molecular dynamics simulations of the liquid–vapor interface of a molten salt. II. Finite size effects and comparison to experiment

The Journal of Chemical Physics ◽

10.1063/1.1410394 ◽

2001 ◽

Vol 115 (18) ◽

pp. 8612-8619 ◽

Cited By ~ 29

Author(s):

Andrés Aguado ◽

W. Scott ◽

Paul A. Madden

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Molten Salt ◽

Size Effects ◽

Finite Size ◽

Finite Size Effects ◽

Vapor Interface ◽

Dynamics Simulations ◽

Liquid Vapor

Download Full-text

Ab Initio Molecular Dynamics Simulations of the Liquid/Vapor Interface of Sulfuric Acid Solutions

The Journal of Physical Chemistry A ◽

10.1021/jp2126398 ◽

2012 ◽

Vol 116 (23) ◽

pp. 5637-5652 ◽

Cited By ~ 12

Author(s):

Audrey Dell Hammerich ◽

Victoria Buch

Keyword(s):

Molecular Dynamics ◽

Sulfuric Acid ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Acid Solutions ◽

Vapor Interface ◽

Dynamics Simulations ◽

Sulfuric Acid Solutions ◽

Liquid Vapor

Download Full-text

MOLECULAR DYNAMICS SIMULATIONS AND LIQUID-VAPOR PHASE-CHANGE PHENOMENA

Microscale Thermophysical Engineering ◽

10.1080/108939502753428194 ◽

2002 ◽

Vol 6 (1) ◽

pp. 1-2 ◽

Cited By ~ 1

Author(s):

V. P. Carey

Keyword(s):

Molecular Dynamics ◽

Phase Change ◽

Molecular Dynamics Simulations ◽

Vapor Phase ◽

Phase Change Phenomena ◽

Dynamics Simulations ◽

Liquid Vapor

Download Full-text

Molecular Dynamics Simulations of the Liquid/Vapor Interface of Aqueous Ethanol Solutions as a Function of Concentration

The Journal of Physical Chemistry B ◽

10.1021/jp0271357 ◽

2003 ◽

Vol 107 (10) ◽

pp. 2333-2343 ◽

Cited By ~ 35

Author(s):

Ethan Stewart ◽

Roseanne L. Shields ◽

Ramona S. Taylor

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Aqueous Ethanol ◽

Vapor Interface ◽

Dynamics Simulations ◽

Liquid Vapor

Download Full-text

Improved coarse-grain model to unravel the phase behavior of 1-alkyl-3-methylimidazolium-based ionic liquids through molecular dynamics simulations

Journal of Colloid and Interface Science ◽

10.1016/j.jcis.2020.04.063 ◽

2020 ◽

Vol 574 ◽

pp. 324-336 ◽

Cited By ~ 4

Author(s):

Emanuel A. Crespo ◽

Nicolas Schaeffer ◽

João A.P. Coutinho ◽

German Perez-Sanchez

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulations ◽

Phase Behavior ◽

Coarse Grain ◽

Grain Model ◽

Dynamics Simulations

Download Full-text

Phase behavior of aqueous polyacrylic acid solutions using atomistic molecular dynamics simulations of model oligomers

Polymer ◽

10.1016/j.polymer.2017.03.007 ◽

2017 ◽

Vol 114 ◽

pp. 266-276 ◽

Cited By ~ 14

Author(s):

Ratna S. Katiyar ◽

Prateek K. Jha

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Phase Behavior ◽

Polyacrylic Acid ◽

Acid Solutions ◽

Dynamics Simulations

Download Full-text