Grand Canonical Monte Carlo Simulation Study of Methane Adsorption at an Open Graphite Surface and in Slitlike Carbon Pores at 273 K
Grand canonical Monte Carlo (GCMC) simulation was used for the systematic investigation of the supercritical methane adsorption at 273 K on an open graphite surface and in slitlike micropores of different sizes. For both considered adsorption systems the calculated excess adsorption isotherms exhibi...
| Main Authors: | , , , , |
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| Format: | Journal Article |
| Published: |
American Chemical Society
2005
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| Online Access: | http://hdl.handle.net/20.500.11937/12468 |
| _version_ | 1848748084828307456 |
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| author | Kowalczyk, Piotr Tanaka, H. Kaneko, K. Terzyk, A. Duong, D. |
| author_facet | Kowalczyk, Piotr Tanaka, H. Kaneko, K. Terzyk, A. Duong, D. |
| author_sort | Kowalczyk, Piotr |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | Grand canonical Monte Carlo (GCMC) simulation was used for the systematic investigation of the supercritical methane adsorption at 273 K on an open graphite surface and in slitlike micropores of different sizes. For both considered adsorption systems the calculated excess adsorption isotherms exhibit a maximum. The effect of the pore size on the maximum surface excess and isosteric enthalpy of adsorption for methane storage at 273 K is discussed. The microscopic detailed picture of methane densification near the homogeneous graphite wall and in slitlike pores at 273 K is presented with selected local density profiles and snapshots. Finally, the reliable pore size distributions, obtained in the range of the microporosity, for two pitch-based microporous activated carbon fibers are calculated from the local excess adsorption isotherms obtained via the GCMC simulation. The current systematic study of supercritical methane adsorption both on an open graphite surface and in slitlike micropores performed by the GCMC summarizes recent investigations performed at slightly different temperatures and usually a lower pressure range by advanced methods based on the statistical thermodynamics. |
| first_indexed | 2025-11-14T06:59:25Z |
| format | Journal Article |
| id | curtin-20.500.11937-12468 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T06:59:25Z |
| publishDate | 2005 |
| publisher | American Chemical Society |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-124682017-09-13T16:07:07Z Grand Canonical Monte Carlo Simulation Study of Methane Adsorption at an Open Graphite Surface and in Slitlike Carbon Pores at 273 K Kowalczyk, Piotr Tanaka, H. Kaneko, K. Terzyk, A. Duong, D. Grand canonical Monte Carlo (GCMC) simulation was used for the systematic investigation of the supercritical methane adsorption at 273 K on an open graphite surface and in slitlike micropores of different sizes. For both considered adsorption systems the calculated excess adsorption isotherms exhibit a maximum. The effect of the pore size on the maximum surface excess and isosteric enthalpy of adsorption for methane storage at 273 K is discussed. The microscopic detailed picture of methane densification near the homogeneous graphite wall and in slitlike pores at 273 K is presented with selected local density profiles and snapshots. Finally, the reliable pore size distributions, obtained in the range of the microporosity, for two pitch-based microporous activated carbon fibers are calculated from the local excess adsorption isotherms obtained via the GCMC simulation. The current systematic study of supercritical methane adsorption both on an open graphite surface and in slitlike micropores performed by the GCMC summarizes recent investigations performed at slightly different temperatures and usually a lower pressure range by advanced methods based on the statistical thermodynamics. 2005 Journal Article http://hdl.handle.net/20.500.11937/12468 10.1021/la050126f American Chemical Society restricted |
| spellingShingle | Kowalczyk, Piotr Tanaka, H. Kaneko, K. Terzyk, A. Duong, D. Grand Canonical Monte Carlo Simulation Study of Methane Adsorption at an Open Graphite Surface and in Slitlike Carbon Pores at 273 K |
| title | Grand Canonical Monte Carlo Simulation Study of Methane Adsorption at an Open Graphite Surface and in Slitlike Carbon Pores at 273 K |
| title_full | Grand Canonical Monte Carlo Simulation Study of Methane Adsorption at an Open Graphite Surface and in Slitlike Carbon Pores at 273 K |
| title_fullStr | Grand Canonical Monte Carlo Simulation Study of Methane Adsorption at an Open Graphite Surface and in Slitlike Carbon Pores at 273 K |
| title_full_unstemmed | Grand Canonical Monte Carlo Simulation Study of Methane Adsorption at an Open Graphite Surface and in Slitlike Carbon Pores at 273 K |
| title_short | Grand Canonical Monte Carlo Simulation Study of Methane Adsorption at an Open Graphite Surface and in Slitlike Carbon Pores at 273 K |
| title_sort | grand canonical monte carlo simulation study of methane adsorption at an open graphite surface and in slitlike carbon pores at 273 k |
| url | http://hdl.handle.net/20.500.11937/12468 |