Interfacial tension and adsorption in the binary system ethanol and carbon dioxide: Experiments, molecular simulation and density gradient theory

Fluid Phase Equilibria ◽

10.1016/j.fluid.2016.08.007 ◽

2016 ◽

Vol 427 ◽

pp. 476-487 ◽

Author(s):

Stefan Becker ◽

Stephan Werth ◽

Martin Horsch ◽

Kai Langenbach ◽

Hans Hasse

Keyword(s):

Carbon Dioxide ◽

Binary System ◽

Interfacial Tension ◽

Molecular Simulation ◽

Density Gradient ◽

Gradient Theory ◽

Density Gradient Theory

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Interfacial and bulk properties of vapor-liquid equilibria in the system toluene + hydrogen chloride + carbon dioxide by molecular simulation and density gradient theory + PC-SAFT

Fluid Phase Equilibria ◽

10.1016/j.fluid.2016.07.016 ◽

2016 ◽

Vol 427 ◽

pp. 219-230 ◽

Author(s):

Stephan Werth ◽

Maximilian Kohns ◽

Kai Langenbach ◽

Manfred Heilig ◽

Martin Horsch ◽

...

Keyword(s):

Carbon Dioxide ◽

Hydrogen Chloride ◽

Molecular Simulation ◽

Density Gradient ◽

Gradient Theory ◽

Bulk Properties ◽

Density Gradient Theory ◽

Vapor Liquid Equilibria ◽

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Investigation of Vapor−Liquid Surface Tension for Carbon Dioxide and Hydrocarbon Mixtures by Perturbed-Chain Statistical Associating Fluid Theory Combined with Density-Gradient Theory

Industrial & Engineering Chemistry Research ◽

10.1021/ie0716520 ◽

2008 ◽

Vol 47 (13) ◽

pp. 4490-4495 ◽

Author(s):

Dong Fu ◽

Yuanzhen Wei

Keyword(s):

Carbon Dioxide ◽

Surface Tension ◽

Density Gradient ◽

Liquid Surface ◽

Gradient Theory ◽

Hydrocarbon Mixtures ◽

Statistical Associating Fluid Theory ◽

Liquid Surface Tension ◽

Fluid Theory ◽

Density Gradient Theory

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General approach for solving the density gradient theory in the interfacial tension calculations

Fluid Phase Equilibria ◽

10.1016/j.fluid.2017.07.021 ◽

2017 ◽

Vol 451 ◽

pp. 79-90 ◽

Author(s):

Xiaodong Liang ◽

Michael Locht Michelsen

Keyword(s):

Interfacial Tension ◽

Density Gradient ◽

Gradient Theory ◽

Density Gradient Theory

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Interfacial tension of binary mixtures exhibiting azeotropic behavior: Measurement and modeling with PCP-SAFT combined with Density Gradient Theory

Fluid Phase Equilibria ◽

10.1016/j.fluid.2013.09.042 ◽

2014 ◽

Vol 362 ◽

pp. 151-162 ◽

Author(s):

Elisabeth Schäfer ◽

Gabriele Sadowski ◽

Sabine Enders

Keyword(s):

Interfacial Tension ◽

Density Gradient ◽

Binary Mixtures ◽

Gradient Theory ◽

Density Gradient Theory

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Adsorption in Purely Dispersive Systems from Molecular Simulation, Density Gradient Theory, and Density Functional Theory

Journal of Chemical & Engineering Data ◽

10.1021/acs.jced.9b00585 ◽

2019 ◽

Vol 65 (3) ◽

pp. 1222-1233

Author(s):

Jinlu Liu ◽

Michaela Heier ◽

Walter G. Chapman ◽

Kai Langenbach

Keyword(s):

Density Functional Theory ◽

Molecular Simulation ◽

Density Gradient ◽

Density Functional ◽

Gradient Theory ◽

Functional Theory ◽

Dispersive Systems ◽

Density Gradient Theory

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Investigation of Interfacial Tensions for Carbon Dioxide Aqueous Solutions by Perturbed-Chain Statistical Associating Fluid Theory Combined with Density-Gradient Theory

Industrial & Engineering Chemistry Research ◽

10.1021/ie800959h ◽

2008 ◽

Vol 47 (22) ◽

pp. 8911-8917 ◽

Author(s):

Xiao-Sen Li ◽

Jian-Min Liu ◽

Dong Fu

Keyword(s):

Carbon Dioxide ◽

Aqueous Solutions ◽

Density Gradient ◽

Gradient Theory ◽

Statistical Associating Fluid Theory ◽

Interfacial Tensions ◽

Fluid Theory ◽

Density Gradient Theory

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Vapor-liquid interfacial properties of the system cyclohexane + CO2: Experiments, molecular simulation and density gradient theory

Fluid Phase Equilibria ◽

10.1016/j.fluid.2020.112583 ◽

2020 ◽

Vol 518 ◽

pp. 112583 ◽

Author(s):

Simon Stephan ◽

Stefan Becker ◽

Kai Langenbach ◽

Hans Hasse

Keyword(s):

Molecular Simulation ◽

Density Gradient ◽

Interfacial Properties ◽

Gradient Theory ◽

Density Gradient Theory ◽

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Interfacial properties of binary Lennard-Jones mixtures by molecular simulation and density gradient theory

The Journal of Chemical Physics ◽

10.1063/1.5093603 ◽

2019 ◽

Vol 150 (17) ◽

pp. 174704 ◽

Author(s):

Simon Stephan ◽

Kai Langenbach ◽

Hans Hasse

Keyword(s):

Molecular Simulation ◽

Density Gradient ◽

Interfacial Properties ◽

Gradient Theory ◽

Lennard Jones ◽

Density Gradient Theory

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Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory

The Journal of Chemical Physics ◽

10.1063/1.5022231 ◽

2018 ◽

Vol 148 (12) ◽

pp. 124702 ◽

Author(s):

K. Langenbach ◽

M. Heilig ◽

M. Horsch ◽

H. Hasse

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Density Gradient ◽

Hybrid Approach ◽

Bubble Nucleation ◽

Dynamics Simulation ◽

Gradient Theory ◽

Liquid Carbon ◽

Density Gradient Theory

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Vapor−Liquid Interface of the Lennard-Jones Truncated and Shifted Fluid: Comparison of Molecular Simulation, Density Gradient Theory, and Density Functional Theory

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b06332 ◽

2018 ◽

Vol 122 (43) ◽

pp. 24705-24715 ◽

Author(s):

Simon Stephan ◽

Jinlu Liu ◽

Kai Langenbach ◽

Walter G. Chapman ◽

Hans Hasse

Keyword(s):

Density Functional Theory ◽

Molecular Simulation ◽

Density Gradient ◽

Density Functional ◽

Liquid Interface ◽

Gradient Theory ◽

Functional Theory ◽

Lennard Jones ◽

Density Gradient Theory ◽

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