. (2013). Nitrogen removal from natural gas using solid boron: A firstprinciples computational study. Fuel, 109 (2013), 575-581. Nitrogen removal from natural gas using solid boron: A first-principles computational study
AbstractSelective 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.Keywords natural, gas, solid, nitrogen, boron, removal, first, principles, computational, study
Disciplines
Engineering | Physical Sciences and Mathematics
Publication DetailsSun, 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, 109 (2013)
AbstractSelective separation of nitrogen (N 2 ) from methane (CH 4 ) 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 N 2 and CH 4 are 3.64 Å and 3.80 Å, respectively). Here we theoretically study the adsorption of N 2 and CH 4 on B 12 cluster and solid boron surfaces α-B 12 and γ-B 28 . Our results show that these electron-deficiency boron materials have higher selectivity in adsorbing and capturing N 2 than CH 4 , which provides very useful information for experimentally exploiting boron materials for natural gas purification.