Phasepy: A Python based framework for fluid phase equilibria and interfacial properties computation

Gustavo Chaparro; Andrés Mejía

doi:10.1002/jcc.26405

Phasepy: A Python based framework for fluid phase equilibria and interfacial properties computation

Journal of Computational Chemistry ◽

10.1002/jcc.26405 ◽

2020 ◽

Vol 41 (29) ◽

pp. 2504-2526

Author(s):

Gustavo Chaparro ◽

Andrés Mejía

Keyword(s):

Phase Equilibria ◽

Fluid Phase ◽

Interfacial Properties ◽

Fluid Phase Equilibria

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Monte Carlo Simulations of Fluid Phase Equilibria and Interfacial Properties for Water/Alkane Mixtures: An Assessment of Nonpolarizable Water Models and of Departures from the Lorentz–Berthelot Combining Rules

Journal of Chemical & Engineering Data ◽

10.1021/acs.jced.8b00757 ◽

2018 ◽

Vol 63 (11) ◽

pp. 4256-4268 ◽

Cited By ~ 4

Author(s):

Bai Xue ◽

David B. Harwood ◽

Jingyi L. Chen ◽

J. Ilja Siepmann

Keyword(s):

Monte Carlo ◽

Phase Equilibria ◽

Monte Carlo Simulations ◽

Fluid Phase ◽

Interfacial Properties ◽

Water Models ◽

Fluid Phase Equilibria

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Fluid phase equilibria in the binary systems ethylene + n-triacontane and ethylene + squalane

Fluid Phase Equilibria ◽

10.1016/0378-3812(86)85049-x ◽

1986 ◽

Vol 29 ◽

pp. 505-514 ◽

Cited By ~ 5

Author(s):

Th.W. de Loos ◽

W. Poot ◽

J. de Swaan Arons

Keyword(s):

Phase Equilibria ◽

Binary Systems ◽

Fluid Phase ◽

Fluid Phase Equilibria

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Fluid Phase Equilibria

Fluid Phase Equilibria ◽

10.1016/0378-3812(77)80007-1 ◽

1977 ◽

Vol 1 (3) ◽

pp. 246

Keyword(s):

Phase Equilibria ◽

Fluid Phase ◽

Fluid Phase Equilibria

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The measurement and interpretation of the fluid-phase equilibria of a normal fluid in a hydrogen bonding solvent: the methanemethanol system

Fluid Phase Equilibria ◽

10.1016/0378-3812(87)90005-7 ◽

1987 ◽

Vol 38 (1-2) ◽

pp. 83-96 ◽

Cited By ~ 36

Author(s):

Jane H. Hong ◽

Patrick V. Malone ◽

Maurice D. Jett ◽

Riki Kobayashi

Keyword(s):

Hydrogen Bonding ◽

Phase Equilibria ◽

Fluid Phase ◽

Normal Fluid ◽

Fluid Phase Equilibria ◽

Methanol System

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Applications of the IAPWS-95 formulation in fluid inclusion and mineral-fluid phase equilibria

Geoscience Frontiers ◽

10.1016/j.gsf.2011.08.002 ◽

2012 ◽

Vol 3 (1) ◽

pp. 51-58 ◽

Cited By ~ 1

Author(s):

Lanlan Shi ◽

Shide Mao

Keyword(s):

Fluid Inclusion ◽

Phase Equilibria ◽

Fluid Phase ◽

Fluid Phase Equilibria

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Fluid Phase Equilibria and critical phenomena for the dodecane-water and squalane-water systems at elevated temperatures and pressures

Fluid Phase Equilibria ◽

10.1016/0378-3812(94)87016-0 ◽

1994 ◽

Vol 93 ◽

pp. 317-336 ◽

Cited By ~ 42

Author(s):

R.L. Stevenson ◽

D.S. LaBracio ◽

T.A. Beaton ◽

M.C. Thies

Keyword(s):

Phase Equilibria ◽

Critical Phenomena ◽

Elevated Temperatures ◽

Fluid Phase ◽

Water Systems ◽

Fluid Phase Equilibria

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Fluid phase equilibria in the system hydrogen sulphide-water at high pressure. Application of an extended Henry's law

Chemical Engineering & Technology ◽

10.1002/ceat.270160309 ◽

1993 ◽

Vol 16 (3) ◽

pp. 200-205 ◽

Cited By ~ 2

Author(s):

John J. Carroll ◽

Alan E. Mather

Keyword(s):

High Pressure ◽

Phase Equilibria ◽

Hydrogen Sulphide ◽

Fluid Phase ◽

Henry's Law ◽

Henry’S Law ◽

Pressure Application ◽

Fluid Phase Equilibria

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Fluid–fluid phase equilibria in disordered porous media. Nonadditive hard sphere mixture

Physics Letters A ◽

10.1016/s0375-9601(00)00844-6 ◽

2001 ◽

Vol 280 (3) ◽

pp. 146-152 ◽

Cited By ~ 10

Author(s):

Oscar Sierra ◽

Yurko Duda

Keyword(s):

Porous Media ◽

Phase Equilibria ◽

Hard Sphere ◽

Fluid Phase ◽

Fluid Phase Equilibria ◽

Disordered Porous Media

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Modeling of Solid/Fluid Phase Equilibria in Multicomponent Systems at High Pressure

Chemical Engineering & Technology ◽

10.1002/1521-4125(200106)24:6<607::aid-ceat607>3.0.co;2-t ◽

2001 ◽

Vol 24 (6) ◽

pp. 607-612 ◽

Cited By ~ 15

Author(s):

M. Seiler ◽

J. Groß ◽

B. Bungert ◽

G. Sadowski ◽

W. Arlt

Keyword(s):

High Pressure ◽

Phase Equilibria ◽

Fluid Phase ◽

Multicomponent Systems ◽

Fluid Phase Equilibria

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John P O’Connell Festschrift in fluid phase equilibria

Fluid Phase Equilibria ◽

10.1016/j.fluid.2018.05.014 ◽

2018 ◽

Vol 470 ◽

pp. 1

Author(s):

Rafiqul Gani ◽

Georgios Kontogeorgis ◽

Clare McCabe

Keyword(s):

Phase Equilibria ◽

Fluid Phase ◽

Fluid Phase Equilibria

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