Adelaide Research & Scholarship
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https://hdl.handle.net/2440/80772
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| Type: | Journal article |
| Title: | Analytical representation of micropores for predicting gas adsorption in porous materials |
| Author: | Thornton, A. Furman, S. Nairn, K. Hill, A. Hill, J. Hill, M. |
| Citation: | Microporous and Mesoporous Materials, 2013; 167:188-197 |
| Publisher: | Elsevier Science BV |
| Issue Date: | 2013 |
| ISSN: | 1387-1811 1873-3093 |
| Statement of Responsibility: | Aaron W. Thornton, Scott A. Furman, Kate M. Nairn, Anita J. Hill, James M. Hill, Matthew R. Hill |
| Abstract: | A straightforward method for the prediction of the gas storage capabilities of porous materials has been established. The Topologically Integrated Mathematical Thermodynamic Adsorption Model (TIMTAM) combines analytical surface potential energies with classical physisorption thermodynamics in a computationally inexpensive fashion. Experimental and simulated isotherms from leading sorbent candidates such as metal-organic frameworks (MOFs), zeolitic imidazolate frameworks (ZIFs), carbon nanotubes and activated carbons have been used to verify the model. Furthermore, the effect of pore size and shape upon gas storage characteristics is explored using the TIMTAM routine. © 2012 Elsevier Inc. All rights reserved. |
| Keywords: | Adsorption Metal–organic framework Nanotube Activated carbon Potential energy |
| Rights: | Copyright © 2012 Elsevier Inc. All rights reserved. |
| DOI: | 10.1016/j.micromeso.2012.09.002 |
| Grant ID: | ARC |
| Published version: | http://dx.doi.org/10.1016/j.micromeso.2012.09.002 |
| Appears in Collections: | Aurora harvest 4 Mathematical Sciences publications |
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