Abstract / Description of output
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.
Original language | English |
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Pages (from-to) | 295-321 |
Number of pages | 27 |
Journal | Molecular simulation |
Volume | 27 |
Issue number | 5-6 |
DOIs | |
Publication status | Published - 2001 |
Keywords / Materials (for Non-textual outputs)
- materials characterisation
- Engineering (General). Civil engineering (General)
- Chemistry
- adsorption isotherms
- chemical engineering
- monte carlo simulation
- graphitic slit pores
- gibbs ensemble
- grand canonical ensemble