Nitrogen removal from natural gas using solid boron : A first-principles computational study

Sun, Qiao, Wang, Meng, Li, Zhen, Li, Ping, Wang, Weihua, Tan, Xiaojun, & Du, Aijun (2013) Nitrogen removal from natural gas using solid boron : A first-principles computational study. Fuel, pp. 1-7.

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Selective separation of nitrogen (N2) from methane (CH4) is highly significant in natural gas purification, and it is very challenging to achieve this because of their nearly identical size (the molecular diameters of N2 and CH4 are 3.64 Å and 3.80 Å, respectively). Here we theoretically study the adsorption of N2 and CH4 on B12 cluster and solid boron surfaces a-B12 and c-B28. Our results show that these electron-deficiency boron materials have higher selectivity in adsorbing and capturing N2 than CH4, which provides very useful information for experimentally exploiting boron materials for natural gas purification.

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8 citations in Scopus
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7 citations in Web of Science®

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ID Code: 59642
Item Type: Journal Article
Refereed: Yes
Keywords: N2/CH4 separation, Gas purification, DFT calculations
DOI: 10.1016/j.fuel.2013.03.032
ISSN: 0016-2361
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2013 Elsevier Ltd.
Deposited On: 05 May 2013 23:42
Last Modified: 15 Jan 2014 14:35

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