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

Journal Article


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Abstract


  • 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 α-B12 and γ-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. © 2013 Elsevier Ltd. All rights reserved.

UOW Authors


  •   Sun, Qiao (external author)
  •   Wang, Meng (external author)
  •   Du, Aijun (external author)
  •   Li, Ping (external author)
  •   Wang, Weihua (external author)
  •   Tan, Xiaojun (external author)
  •   Li, Zhen

Publication Date


  • 2013

Citation


  • Sun, Q., Wang, M., Li, Z., Li, P., Wang, W., Tan, X. & Du, A. (2013). Nitrogen removal from natural gas using solid boron: A first-principles computational study. Fuel: the science and technology of fuel and energy, 109 575-581.

Scopus Eid


  • 2-s2.0-84879095835

Ro Full-text Url


  • http://ro.uow.edu.au/cgi/viewcontent.cgi?article=1759&context=aiimpapers

Ro Metadata Url


  • http://ro.uow.edu.au/aiimpapers/759

Has Global Citation Frequency


Number Of Pages


  • 6

Start Page


  • 575

End Page


  • 581

Volume


  • 109

Abstract


  • 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 α-B12 and γ-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. © 2013 Elsevier Ltd. All rights reserved.

UOW Authors


  •   Sun, Qiao (external author)
  •   Wang, Meng (external author)
  •   Du, Aijun (external author)
  •   Li, Ping (external author)
  •   Wang, Weihua (external author)
  •   Tan, Xiaojun (external author)
  •   Li, Zhen

Publication Date


  • 2013

Citation


  • Sun, Q., Wang, M., Li, Z., Li, P., Wang, W., Tan, X. & Du, A. (2013). Nitrogen removal from natural gas using solid boron: A first-principles computational study. Fuel: the science and technology of fuel and energy, 109 575-581.

Scopus Eid


  • 2-s2.0-84879095835

Ro Full-text Url


  • http://ro.uow.edu.au/cgi/viewcontent.cgi?article=1759&context=aiimpapers

Ro Metadata Url


  • http://ro.uow.edu.au/aiimpapers/759

Has Global Citation Frequency


Number Of Pages


  • 6

Start Page


  • 575

End Page


  • 581

Volume


  • 109