Modelling gas adsorption in slit-pores using Monte Carlo simulation

Sweatman, M.B. and Quirke, N. (2001) Modelling gas adsorption in slit-pores using Monte Carlo simulation. Molecular Simulation, 27 (5-6). pp. 295-321. ISSN 1029-0435 (http://dx.doi.org/10.1080/08927020108031355)

Abstract

We discuss the use of Monte Carlo simulation to model the equilibrium adsorption of gases in slit pores. Databases of adsorption isotherms have been calculated for nitrogen, carbon-monoxide, methane and carbon-dioxide for a range of pressures, pore widths and temperatures. We discuss the implications of these results for materials characterisation procedures based on gas adsorption data.

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• Item metadata

  Item type:	Article
  ID code:	13481
  Dates:	Date Event 2001 Published
  Keywords:	monte carlo simulation, gibbs ensemble, grand canonical ensemble, graphitic slit pores, adsorption isotherms, materials characterisation, chemical engineering, Chemistry, Engineering (General). Civil engineering (General), Modelling and Simulation, Materials Science(all), Chemical Engineering(all), Chemistry(all), Information Systems, Condensed Matter Physics
  Subjects:	Science > Chemistry Technology > Engineering (General). Civil engineering (General)
  Department:	Faculty of Engineering > Chemical and Process Engineering
  Depositing user:	Dr Martin Sweatman
  Date deposited:	18 Nov 2009 15:01
  Last modified:	03 Feb 2023 01:58
  URI:	https://strathprints.strath.ac.uk/id/eprint/13481