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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 110, 2012 - Issue 18
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Research Articles

Application of the kinetic Monte Carlo method in the microscopic description of argon adsorption on graphite

Van T. Nguyen School of Chemical Engineering, University of Queensland, St. Lucia, Qld 4072, Australia
,
D.D. Do School of Chemical Engineering, University of Queensland, St. Lucia, Qld 4072, AustraliaCorrespondence[email protected]
,
D. Nicholson School of Chemical Engineering, University of Queensland, St. Lucia, Qld 4072, Australia
&
E.A. Ustinov Ioffe Physical-Technical Institute of the Russian Academy of Sciences, 26 Polytechnicheskaya, St. Petersburg 194021, Russia
Pages 2281-2294 | Received 31 Jan 2012, Accepted 07 Mar 2012, Published online: 11 Apr 2012

Citations (11)

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Read on this site (5)

Yonghong Zeng, D. D. Do & D. Nicholson. (2017) A novel algorithm to accelerate the convergence of grand canonical Monte Carlo simulation of non-uniform fluids. Molecular Simulation 43:4, pages 243-249.
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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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Van T. Nguyen, S. Johnathan Tan, D.D. Do & D. Nicholson. (2016) Application of kinetic Monte Carlo method to the vapour–liquid equilibria of associating fluids and their mixtures. Molecular Simulation 42:8, pages 642-654.
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Shiliang (Johnathan) Tan, D. D. Do & D. Nicholson. (2016) An efficientmethod to determine chemical potential of mixtures in the isothermal and isobaric bulk phase with kineticMonte Carlo simulation. Molecular Physics 114:2, pages 186-196.
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Chunyan Fan, D.D. Do & D. Nicholson. (2015) On the existence of a hysteresis loop in open and closed end pores. Molecular Simulation 41:4, pages 245-255.
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Articles from other publishers (6)

Shiliang (Johnathan) Tan, D.D. Do & D. Nicholson. (2020) Consistency of NVT, NPT, µVT and Gibbs (NV2T and NPT) with kinetic Monte Carlo schemes. Chemical Engineering Journal 401, pages 126056.
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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, D.D. Do & D. Nicholson. (2018) An efficient kinetic Monte Carlo scheme for computing Helmholtz free energy and entropy in bulk fluids and adsorption systems. Chemical Engineering Journal 334, pages 1410-1421.
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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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Yonghong Zeng, Poomiwat Phadungbut, D. D. Do & D. Nicholson. (2014) Anatomy of Adsorption in Open-End and Closed-End Slit Mesopores: Adsorption, Desorption, and Equilibrium Branches of Hysteresis Loop. The Journal of Physical Chemistry C 118:44, pages 25496-25504.
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E. A. Ustinov & D. D. Do. (2012) Simulation of gas adsorption on a surface and in slit pores with grand canonical and canonical kinetic Monte Carlo methods. Physical Chemistry Chemical Physics 14:31, pages 11112.
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