Prediction of the Surface Tension of the Liquid−Vapor Interface of Alcohols from Monte Carlo Simulations

The Journal of Physical Chemistry C ◽

10.1021/jp1117213 ◽

2011 ◽

Vol 115 (17) ◽

pp. 8670-8683 ◽

Author(s):

F. Biscay ◽

A. Ghoufi ◽

V. Lachet ◽

P. Malfreyt

Keyword(s):

Surface Tension ◽

Monte Carlo ◽

Monte Carlo Simulations ◽

Vapor Interface ◽

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Monte Carlo Simulations of the Liquid−Vapor Interface of Lennard−Jones Diatomics for the Direct Determination of the Interfacial Tension Using the Test-Area Method†

Journal of Chemical & Engineering Data ◽

10.1021/je100450s ◽

2010 ◽

Vol 55 (10) ◽

pp. 4306-4314 ◽

Author(s):

José G. Sampayo ◽

Felipe J. Blas ◽

Enrique de Miguel ◽

Erich A. Müller ◽

George Jackson

Keyword(s):

Monte Carlo ◽

Interfacial Tension ◽

Monte Carlo Simulations ◽

Direct Determination ◽

Test Area ◽

Vapor Interface ◽

Area Method ◽

Lennard Jones ◽

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Monte Carlo Simulations of Lennard-Jones Nonionic Surfactant Adsorption at the Liquid/Vapor Interface

Langmuir ◽

10.1021/la062419u ◽

2007 ◽

Vol 23 (4) ◽

pp. 1835-1844 ◽

Author(s):

A. J. Howes ◽

C. J. Radke

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Nonionic Surfactant ◽

Surfactant Adsorption ◽

Vapor Interface ◽

Lennard Jones ◽

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Adsorption of apolar molecules at the water liquid–vapor interface: A Monte Carlo simulations study of the water-n-octane system

The Journal of Chemical Physics ◽

10.1063/1.1581848 ◽

2003 ◽

Vol 119 (3) ◽

pp. 1731-1740 ◽

Author(s):

Pál Jedlovszky ◽

Imre Varga ◽

Tibor Gilányi

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Vapor Interface ◽

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Quantum Monte Carlo simulations of the structure in the liquid–vapor interface of BiGa binary alloys

The Journal of Chemical Physics ◽

10.1063/1.475912 ◽

1998 ◽

Vol 108 (12) ◽

pp. 5055-5067 ◽

Author(s):

Meishan Zhao ◽

Dmitriy Chekmarev ◽

Stuart A. Rice

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Quantum Monte Carlo ◽

Binary Alloys ◽

Vapor Interface ◽

Quantum Monte Carlo Simulations ◽

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Structure of the Liquid−Vapor Interface of Water−Methanol Mixtures as Seen from Monte Carlo Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp0534885 ◽

2005 ◽

Vol 109 (43) ◽

pp. 20493-20503 ◽

Author(s):

Lívia Pártay ◽

Pál Jedlovszky ◽

Árpád Vincze ◽

George Horvai

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Vapor Interface ◽

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Self-consistent Monte Carlo simulations of the electron and ion distributions of inhomogeneous liquid alkali metals. II. Longitudinal and transverse density distributions in the liquid-vapor interface of binary metallic alloys

Journal of Statistical Physics ◽

10.1007/bf01009536 ◽

1987 ◽

Vol 48 (5-6) ◽

pp. 1109-1128 ◽

Author(s):

Jonathan G. Harris ◽

Jan Gryko ◽

Stuart A. Rice

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Alkali Metals ◽

Metallic Alloys ◽

Vapor Interface ◽

Density Distributions ◽

Ion Distributions ◽

Self Consistent ◽

Liquid Alkali Metals ◽

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Self‐consistent Monte Carlo simulations of the electron and ion distributions of inhomogeneous liquid alkali metals. I. Longitudinal and transverse density distributions in the liquid–vapor interface of a one‐component system

The Journal of Chemical Physics ◽

10.1063/1.453044 ◽

1987 ◽

Vol 87 (5) ◽

pp. 3069-3081 ◽

Author(s):

Jonathan G. Harris ◽

Jan Gryko ◽

Stuart A. Rice

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Alkali Metals ◽

Component System ◽

Vapor Interface ◽

Density Distributions ◽

Ion Distributions ◽

Self Consistent ◽

Liquid Alkali Metals ◽

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Direct Monte Carlo simulations of the equilibrium properties ofn-pentane liquid–vapor interface

The Journal of Chemical Physics ◽

10.1063/1.1468216 ◽

2002 ◽

Vol 116 (18) ◽

pp. 8106-8117 ◽

Author(s):

Florent Goujon ◽

Patrice Malfreyt ◽

Anne Boutin ◽

Alain H. Fuchs

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Vapor Interface ◽

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Structure of the Acetone Liquid−Vapor Interface as Seen from Monte Carlo Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp0516644 ◽

2005 ◽

Vol 109 (24) ◽

pp. 12014-12019 ◽

Author(s):

Lívia Pártay ◽

Pál Jedlovszky ◽

George Horvai

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Vapor Interface ◽

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Temperature effects on the spatial distribution of electrolyte mixtures at the aqueous liquid–vapor interface

Physical Chemistry Chemical Physics ◽

10.1039/c9cp06729a ◽

2020 ◽

Vol 22 (19) ◽

pp. 10792-10801

Author(s):

Becky L. Eggimann ◽

J. Ilja Siepmann

Keyword(s):

Monte Carlo ◽

Spatial Distribution ◽

Monte Carlo Simulations ◽

Temperature Effects ◽

Electrolyte Mixtures ◽

Vapor Interface ◽

Interfacial Adsorption ◽

Monte Carlo simulations indicate that an anion's propensity for interfacial adsorption increases with its size and is associated with an enthalpic gain and entropic cost for the largest anion.

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