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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 114, 2016 - Issue 2
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Research Articles

An efficientmethod to determine chemical potential of mixtures in the isothermal and isobaric bulk phase with kineticMonte Carlo simulation

Shiliang (Johnathan) TanSchool of Chemical Engineering, University of Queensland, St. Lucia, AustraliaView further author information
,
D. D. DoSchool of Chemical Engineering, University of Queensland, St. Lucia, AustraliaCorrespondence[email protected]
View further author information
&
D. NicholsonSchool of Chemical Engineering, University of Queensland, St. Lucia, AustraliaView further author information
Pages 186-196 | Received 24 Apr 2015, Accepted 01 Sep 2015, Published online: 13 Oct 2015

Citations (10)

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Read on this site (3)

Braden Kelly & William R. Smith. (2019) Molecular simulation of chemical reaction equilibria by Kinetic Monte Carlo. Molecular Physics 117:20, pages 2778-2785.
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Shiliang Johnathan Tan, D. D. Do & D. Nicholson. (2017) A new kinetic Monte Carlo scheme with Gibbs ensemble to determine vapour–liquid equilibria. Molecular Simulation 43:2, pages 76-85.
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Shiliang (Johnathan) Tan, D. D. Do & D. Nicholson. (2016) Development of a grand canonical-kinetic Monte Carlo scheme for simulation of mixtures. Molecular Simulation 42:12, pages 993-1000.
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Articles from other publishers (7)

Eugene A. Ustinov. (2023) Thermodynamics of liquid and fluid mixtures from the kinetic Monte Carlo viewpoint. Physical Chemistry Chemical Physics 25:40, pages 27321-27330.
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Allan H.H. Sim, Xiu Liu & Chunyan Fan. (2022) Adsorptive separation of carbon dioxide at ambient temperatures in activated carbon. Carbon Capture Science & Technology 4, pages 100062.
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Shiliang Johnathan Tan, Lumeng Liu & Jia Wei Chew. (2021) Competitive and Synergistic Adsorption of Mixtures of Polar and Nonpolar Gases in Carbonaceous Nanopores. Langmuir 37:22, pages 6754-6764.
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Shiliang Johnathan Tan, Luisa Prasetyo, D. D. Do & D. Nicholson. (2019) Interplay between Wetting and Filling of Argon Adsorption in Slit Pores with Different Surface Energies Transition from Filling in Micropores to Capillary Condensation in Mesopores. Industrial & Engineering Chemistry Research 58:51, pages 23294-23303.
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Eugene Ustinov. (2019) Kinetic Monte Carlo approach for molecular modeling of adsorption. Current Opinion in Chemical Engineering 24, pages 1-11.
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Shiliang Tan, Quang K. Loi, D. D. Do & D. Nicholson. (2018) A new interpretation of chemical potential in adsorption systems and the vapour–liquid interface. Adsorption 24:5, pages 425-430.
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Shiliang (Johnathan) Tan, L. Prasetyo, Y. Zeng, D.D. Do & D. Nicholson. (2017) On the consistency of NVT , NPT , μVT and Gibbs ensembles in the framework of kinetic Monte Carlo – Fluid phase equilibria and adsorption of pure component systems. Chemical Engineering Journal 316, pages 243-254.
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