Molecular dynamics simulation of PVT properties of geological fluids and a general equation of state of nonpolar and weakly polar gases up to 2000 K and 20,000 bar

Geochimica et Cosmochimica Acta ◽

10.1016/0016-7037(92)90175-i ◽

1992 ◽

Vol 56 (10) ◽

pp. 3839-3845 ◽

Author(s):

Zhenhao Duan ◽

Nancy Møller ◽

John H Weare

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Equation Of State ◽

General Equation ◽

Dynamics Simulation ◽

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A general equation of state for supercritical fluid mixtures and molecular dynamics simulation of mixture PVTX properties

Geochimica et Cosmochimica Acta ◽

10.1016/0016-7037(96)00004-x ◽

1996 ◽

Vol 60 (7) ◽

pp. 1209-1216 ◽

Author(s):

Zhenhao Duan ◽

Nancy Møller ◽

John H. Weare

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Equation Of State ◽

Supercritical Fluid ◽

General Equation ◽

Dynamics Simulation ◽

Fluid Mixtures ◽

Pvtx Properties

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The Hugoniot adiabat of crystalline copper based on molecular dynamics simulation and semiempirical equation of state

Journal of Physics Conference Series ◽

10.1088/1742-6596/946/1/012098 ◽

2018 ◽

Vol 946 ◽

pp. 012098

Author(s):

S A Gubin ◽

I V Maklashova ◽

I N Mel’nikov

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Equation Of State ◽

Dynamics Simulation ◽

Semiempirical Equation

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Prediction of the PVT properties of water over wide range of temperatures and pressures from molecular dynamics simulation

Physics of The Earth and Planetary Interiors ◽

10.1016/j.pepi.2004.11.003 ◽

2005 ◽

Vol 149 (3-4) ◽

pp. 335-354 ◽

Author(s):

Zhigang Zhang ◽

Zhenhao Duan

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Pvt Properties ◽

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Molecular Dynamics Simulation and a Cubic Equation of State of Supercritical Methane Up to 3000 K and 3000 MPa

International Journal of Thermophysics ◽

10.1007/s10765-021-02952-4 ◽

2022 ◽

Vol 43 (2) ◽

Author(s):

Siyu Jiang ◽

Tao Guo ◽

Yang-Xin Yu ◽

Jiawen Hu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Equation Of State ◽

Dynamics Simulation ◽

Cubic Equation Of State ◽

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Computation of some thermodynamics, transport, structural properties, and new equation of state for fluid methane using two-body and three-body intermolecular potentials from molecular dynamics simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2011.04.002 ◽

2011 ◽

Vol 161 (1) ◽

pp. 30-35 ◽

Author(s):

M. Abbaspour

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Equation Of State ◽

Structural Properties ◽

Dynamics Simulation ◽

Intermolecular Potentials ◽

New Equation ◽

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Reduction of the allotropic transition temperature in nanocrystalline zirconium: Predicted by modified equation of state (MEOS) method and molecular dynamics simulation

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2012.12.009 ◽

2013 ◽

Vol 74 (4) ◽

pp. 584-589

Author(s):

Amin Salati ◽

Esmail Mokhtari ◽

Masoud Panjepour ◽

Gholamreza Aryanpour

Keyword(s):

Molecular Dynamics ◽

Transition Temperature ◽

Molecular Dynamics Simulation ◽

Equation Of State ◽

Dynamics Simulation ◽

Modified Equation

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Equation of state of nitrogen (N2) at high pressures and high temperatures: Molecular dynamics simulation

The Journal of Chemical Physics ◽

10.1063/1.2185096 ◽

2006 ◽

Vol 124 (13) ◽

pp. 134501 ◽

Author(s):

Stanisław Krukowski ◽

Paweł Strąk

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Equation Of State ◽

High Temperatures ◽

High Pressures ◽

Dynamics Simulation

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Comprehensive representation of the Lennard-Jones equation of state based on molecular dynamics simulation data

The Journal of Chemical Physics ◽

10.1063/1.5021560 ◽

2018 ◽

Vol 148 (11) ◽

pp. 114505 ◽

Author(s):

S. Pieprzyk ◽

A. C. Brańka ◽

Sz. Maćkowiak ◽

D. M. Heyes

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Equation Of State ◽

Dynamics Simulation ◽

Simulation Data ◽

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Transport properties and equation of state of 1-bar eutectic melt in the system CaAl2Si2O8-CaMgSi2O6 by molecular dynamics simulation

American Mineralogist ◽

10.2138/am.2012.3863 ◽

2012 ◽

Vol 97 (7) ◽

pp. 1155-1164 ◽

Author(s):

G. Ben Martin ◽

M. Ghiorso ◽

F. J. Spera

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Equation Of State ◽

Transport Properties ◽

Dynamics Simulation ◽

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An Extended van der Waals Equation of State Based on Molecular Dynamics Simulation

Journal of Computer Chemistry Japan ◽

10.2477/jccj.h2102 ◽

2009 ◽

Vol 8 (3) ◽

pp. 97-104 ◽

Author(s):

Yosuke KATAOKA ◽

Yuri YAMADA

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Equation Of State ◽

Van Der Waals ◽

Dynamics Simulation ◽

Van Der Waals Equation

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