Publication: Modelling of carbon dioxide: Methane separation using titanium dioxide nanotubes
Issued Date
2012-01-01
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ISSN
02599791
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2-s2.0-84855228388
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Mahidol University
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SCOPUS
Bibliographic Citation
Journal of Mathematical Chemistry. Vol.50, No.1 (2012), 300-309
Suggested Citation
Duangkamon Baowan Modelling of carbon dioxide: Methane separation using titanium dioxide nanotubes. Journal of Mathematical Chemistry. Vol.50, No.1 (2012), 300-309. doi:10.1007/s10910-011-9917-1 Retrieved from: https://repository.li.mahidol.ac.th/handle/20.500.14594/13992
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Title
Modelling of carbon dioxide: Methane separation using titanium dioxide nanotubes
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Abstract
The separation of carbon dioxide (CO 2 ) and methane (CH 4 ) mixture is of considerable interest in order to purify natural gas, and one suggestion is that titanium dioxide (TiO 2 ) nanotubes might be exploited to separate a gaseous mixture of methane and carbon dioxide. In this study, we employ both Coulomb's law and the Lennard-Jones potential to determine the total energy of adsorption CO 2 and CH 4 into a TiO 2 nanotube. The CH 4 is a nonpolar molecule, and therefore the Coulombic interaction may be neglected. The total energy of the systems is evaluated utilizing the continuous approximation, which assumes that the two gas molecules are spheres of certain radii, while the tube is modelled as a cylinder. Further, both electrostatic and van der Waals potentials are determined and expressed in the exact analytical formulae. The numerical results predict that a single molecule of CO 2 or CH 4 can be encapsulated into the tube. On assuming both gases may form clusters with the same proportion of atom species, a cluster of CO 2 will not be adsorbed into the tube when its radius exceeds 3. 32Å. On the other hand, a cluster of CH 4 can be encapsulated into an appropriate radius of TiO 2 nanotube. These results indicate that TiO 2 nanotubes may be useful in the purification of CH 4 . © 2011 Springer Science+Business Media, LLC.