Abstract
| Language | English |
|---|---|
| Pages | 295-321 |
| Number of pages | 26 |
| Journal | Molecular Simulation |
| Volume | 27 |
| Issue number | 5-6 |
| DOIs | |
| Publication status | Published - 2001 |
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Keywords
- monte carlo simulation
- gibbs ensemble
- grand canonical ensemble
- graphitic slit pores
- adsorption isotherms
- materials characterisation
- chemical engineering
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Modelling gas adsorption in slit-pores using Monte Carlo simulation. / Sweatman, M.B.; Quirke, N.
In: Molecular Simulation, Vol. 27, No. 5-6, 2001, p. 295-321.Research output: Contribution to journal › Article
TY - JOUR
T1 - Modelling gas adsorption in slit-pores using Monte Carlo simulation
AU - Sweatman, M.B.
AU - Quirke, N.
PY - 2001
Y1 - 2001
N2 - 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.
AB - 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.
KW - monte carlo simulation
KW - gibbs ensemble
KW - grand canonical ensemble
KW - graphitic slit pores
KW - adsorption isotherms
KW - materials characterisation
KW - chemical engineering
UR - http://dx.doi.org/10.1080/08927020108031355
U2 - 10.1080/08927020108031355
DO - 10.1080/08927020108031355
M3 - Article
VL - 27
SP - 295
EP - 321
JO - Molecular Simulation
T2 - Molecular Simulation
JF - Molecular Simulation
SN - 0892-7022
IS - 5-6
ER -