Exact statistical mechanical one-dimensional lattice model of alkane binary mixture adsorption in zeolites and comparision with Monte-Carlo simulations
✍ Scribed by Lawrence J. Dunne; George Manos; Zhimei Du
- Publisher
- Elsevier Science
- Year
- 2003
- Tongue
- English
- Weight
- 199 KB
- Volume
- 377
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Adsorption isotherms obtained by Monte-Carlo simulation for ethane-methane mixtures in the zeolite silicalite show a highly unusual structure with a shoulder at low coverage and adsorption preference reversal at high pressures whose interpretation is uncertain. To understand this behaviour an exact calculation of the statistical mechanics of a lattice model of alkane mixture adsorption in zeolites has been undertaken. The lattice model reproduces all of the novel features of the Monte-Carlo isotherms, allowing us to infer that these unusual characteristics arise from a combination of molecular reorientation of ethane molecules, and displacement of ethane by methane at higher pressures.