Calculating Thermodynamic Properties of an Ionic Liquid with Monte Carlo Simulations with an Orthorhombic and a Cubic Simulation Box

Björn Wittich; Ulrich K. Deiters

doi:10.1021/jp101676m

Calculating Thermodynamic Properties of an Ionic Liquid with Monte Carlo Simulations with an Orthorhombic and a Cubic Simulation Box

The Journal of Physical Chemistry B ◽

10.1021/jp101676m ◽

2010 ◽

Vol 114 (27) ◽

pp. 8954-8960 ◽

Cited By ~ 6

Author(s):

Björn Wittich ◽

Ulrich K. Deiters

Keyword(s):

Monte Carlo ◽

Ionic Liquid ◽

Thermodynamic Properties ◽

Monte Carlo Simulations

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Thermodynamic properties of the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate from Monte Carlo simulations

Green Chemistry ◽

10.1039/b110725a ◽

2002 ◽

Vol 4 (2) ◽

pp. 112-118 ◽

Cited By ~ 170

Author(s):

Jindal K. Shah ◽

Joan F. Brennecke ◽

Edward J. Maginn

Keyword(s):

Monte Carlo ◽

Ionic Liquid ◽

Thermodynamic Properties ◽

Monte Carlo Simulations

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The Journal of Chemical Physics ◽

10.1063/1.481177 ◽

2000 ◽

Vol 112 (13) ◽

pp. 6040-6048 ◽

Cited By ~ 16

Author(s):

Dorel Buta ◽

Karl F. Freed ◽

Igal Szleifer

Keyword(s):

Monte Carlo ◽

Thermodynamic Properties ◽

Monte Carlo Simulations ◽

Mean Field ◽

Field Theories ◽

Lattice Polymers ◽

Mean Field Theories

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Journal of Physics Conference Series ◽

10.1088/1742-6596/490/1/012164 ◽

2014 ◽

Vol 490 ◽

pp. 012164 ◽

Cited By ~ 1

Author(s):

Elena Konstantinova ◽

José Antonio de Sales

Keyword(s):

Monte Carlo ◽

Thermodynamic Properties ◽

Monte Carlo Simulations

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Thermodynamic properties of cubic boron-nitride crystal by path integral Monte Carlo simulations

Chemical Physics Letters ◽

10.1016/j.cplett.2020.137513 ◽

2020 ◽

Vol 751 ◽

pp. 137513

Author(s):

B.G.A. Brito ◽

L. Cândido

Keyword(s):

Monte Carlo ◽

Boron Nitride ◽

Thermodynamic Properties ◽

Monte Carlo Simulations ◽

Path Integral ◽

Cubic Boron Nitride ◽

Path Integral Monte Carlo

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Monte Carlo Simulations of Gas Solubility in the Ionic Liquid 1-n-Butyl-3-methylimidazolium Hexafluorophosphate

The Journal of Physical Chemistry B ◽

10.1021/jp0442089 ◽

2005 ◽

Vol 109 (20) ◽

pp. 10395-10405 ◽

Cited By ~ 106

Author(s):

Jindal K. Shah ◽

Edward J. Maginn

Keyword(s):

Monte Carlo ◽

Ionic Liquid ◽

Monte Carlo Simulations ◽

Gas Solubility

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Toward a molecular theory of vapor‐phase nucleation. III. Thermodynamic properties of argon clusters from Monte Carlo simulations and a modified liquid drop theory

The Journal of Chemical Physics ◽

10.1063/1.465981 ◽

1993 ◽

Vol 99 (7) ◽

pp. 5374-5383 ◽

Cited By ~ 78

Author(s):

Cheryl Li Weakliem ◽

Howard Reiss

Keyword(s):

Monte Carlo ◽

Thermodynamic Properties ◽

Monte Carlo Simulations ◽

Vapor Phase ◽

Liquid Drop ◽

Molecular Theory ◽

Argon Clusters ◽

Phase Nucleation

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Maximum entropy method of obtaining thermodynamic properties from quantum Monte Carlo simulations

Physical Review B ◽

10.1103/physrevb.61.9300 ◽

2000 ◽

Vol 61 (14) ◽

pp. 9300-9306 ◽

Cited By ~ 13

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Carey Huscroft ◽

Richard Gass ◽

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Keyword(s):

Monte Carlo ◽

Thermodynamic Properties ◽

Monte Carlo Simulations ◽

Maximum Entropy ◽

Quantum Monte Carlo ◽

Maximum Entropy Method ◽

Entropy Method ◽

Quantum Monte Carlo Simulations

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Modelling and Simulation in Materials Science and Engineering ◽

10.1088/0965-0393/10/5/304 ◽

2002 ◽

Vol 10 (5) ◽

pp. 521-538 ◽

Cited By ~ 209

Author(s):

A van de Walle ◽

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Keyword(s):

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Thermodynamic Properties ◽

Monte Carlo Simulations ◽

Phase Diagrams ◽

Lattice Model ◽

Alloy Thermodynamic

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Solubility of CO2, CO, and H2in the Ionic Liquid [bmim][PF6] from Monte Carlo Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp050888j ◽

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pp. 12154-12159 ◽

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Johannes Vorholz ◽

Gerd Maurer

Keyword(s):

Monte Carlo ◽

Ionic Liquid ◽

Monte Carlo Simulations

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Thermodynamic properties ofc-Si derived by quantum path-integral Monte Carlo simulations

Physical Review B ◽

10.1103/physrevb.53.9869 ◽

1996 ◽

Vol 53 (15) ◽

pp. 9869-9875 ◽

Cited By ~ 33

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José C. Noya ◽

Carlos P. Herrero ◽

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Keyword(s):

Monte Carlo ◽

Thermodynamic Properties ◽

Monte Carlo Simulations ◽

Path Integral ◽

Path Integral Monte Carlo

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