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Liu, Jinlu, Heier, Michaela, Chapman, Walter G., Langenbach, Kai (2020) Adsorption in Purely Dispersive Systems from Molecular Simulation, Density Gradient Theory, and Density Functional Theory. Journal of Chemical & Engineering Data, 65 (3) 1222-1233 doi:10.1021/acs.jced.9b00585

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Reference TypeJournal (article/letter/editorial)
TitleAdsorption in Purely Dispersive Systems from Molecular Simulation, Density Gradient Theory, and Density Functional Theory
JournalJournal of Chemical & Engineering Data
AuthorsLiu, JinluAuthor
Heier, MichaelaAuthor
Chapman, Walter G.Author
Langenbach, KaiAuthor
Year2020 (March 12)Volume65
Issue3
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jced.9b00585Search in ResearchGate
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Mindat Ref. ID14565541Long-form Identifiermindat:1:5:14565541:1
GUID0
Full ReferenceLiu, Jinlu, Heier, Michaela, Chapman, Walter G., Langenbach, Kai (2020) Adsorption in Purely Dispersive Systems from Molecular Simulation, Density Gradient Theory, and Density Functional Theory. Journal of Chemical & Engineering Data, 65 (3) 1222-1233 doi:10.1021/acs.jced.9b00585
Plain TextLiu, Jinlu, Heier, Michaela, Chapman, Walter G., Langenbach, Kai (2020) Adsorption in Purely Dispersive Systems from Molecular Simulation, Density Gradient Theory, and Density Functional Theory. Journal of Chemical & Engineering Data, 65 (3) 1222-1233 doi:10.1021/acs.jced.9b00585
In(2020, March) Journal of Chemical & Engineering Data Vol. 65 (3) American Chemical Society (ACS)

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Stephan, Simon, Liu, Jinlu, Langenbach, Kai, Chapman, Walter G., Hasse, Hans (2018) 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, 122 (43). 24705-24715 doi:10.1021/acs.jpcc.8b06332
Heier, Michaela, Stephan, Simon, Liu, Jinlu, Chapman, Walter G., Hasse, Hans, Langenbach, Kai (2018) Equation of state for the Lennard-Jones truncated and shifted fluid with a cut-off radius of 2.5 σ based on perturbation theory and its applications to interfacial thermodynamics. Molecular Physics, 116. 2083-2094 doi:10.1080/00268976.2018.1447153
Haghmoradi, Amin, Marshall, Bennett D., Chapman, Walter G. (2020) Beyond Wertheim’s Multi-density Theory: Steric Hindrance and Associated Rings in a Two-Density Formalism for Binary Mixtures of Molecules with Two Associating Sites. Journal of Chemical & Engineering Data, 65 (12) 5743-5752 doi:10.1021/acs.jced.0c00695
Heier, Michaela, Diewald, Felix, Horsch, Martin T., Langenbach, Kai, Müller, Ralf, Hasse, Hans (2019) Molecular Dynamics Study of Adsorption of the Lennard-Jones Truncated and Shifted Fluid on Planar Walls. Journal of Chemical & Engineering Data, 64 (2) 386-394 doi:10.1021/acs.jced.8b00927
Langenbach, Kai, Kohns, Maximilian (2020) Correction to “Relative Permittivity of Dipolar Model Fluids from Molecular Simulation and from the Co-Oriented Fluid Functional Equation for Electrostatic Interactions”. Journal of Chemical & Engineering Data, 65 (10) 5071-5072 doi:10.1021/acs.jced.0c00745
Liu, Jinlu, Xi, Shun, Chapman, Walter G. (2019) Competitive Sorption of CO2 with Gas Mixtures in Nanoporous Shale for Enhanced Gas Recovery from Density Functional Theory. Langmuir, 35. 8144-8158 doi:10.1021/acs.langmuir.9b00410
Heier, Michaela, Diewald, Felix, Müller, Ralf, Langenbach, Kai, Hasse, Hans (2021) Adsorption of Binary Mixtures of the Lennard-Jones Truncated and Shifted Fluid on Planar Walls. Journal of Chemical & Engineering Data, 66 (10) 3722-3734 doi:10.1021/acs.jced.1c00350
Langenbach, K., Kohns, M. (2020) Relative Permittivity of Dipolar Model Fluids from Molecular Simulation and from the Co-Oriented Fluid Functional Equation for Electrostatic Interactions. Journal of Chemical & Engineering Data, 65 (3) 980-986 doi:10.1021/acs.jced.9b00296
Xi, Shun, Wang, Le, Liu, Jinlu, Chapman, Walter (2019) Thermodynamics, Microstructures, and Solubilization of Block Copolymer Micelles by Density Functional Theory. Langmuir, 35. 5081-5092 doi:10.1021/acs.langmuir.8b04336
Großmann, Oliver, Stephan, Simon, Langenbach, Kai, Hasse, Hans (2024) Vapor‐liquid interfacial properties of binary mixtures from molecular simulation and density gradient theory. AIChE Journal, 70 (10). doi:10.1002/aic.18503
Stephan, Simon, Langenbach, Kai, Hasse, Hans (2019) Interfacial properties of binary Lennard-Jones mixtures by molecular simulation and density gradient theory. The Journal of Chemical Physics, 150 (17). 174704pp. doi:10.1063/1.5093603
 
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