CO2 capture and gas separation on boron carbon nanotubes

Sun, Qiao; Wang, Meng; Li, Zhen; Ma, Yingying; Du, Aijun

doi:10.1016/j.cplett.2013.04.063

Cited by 42 publications

(25 citation statements)

References 49 publications

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“…Among the solid sorbent studies, nanotubes [15] and metal-organic frameworks [7] have been found to be excellent solid CO 2 sorbents at a low cost. Theoretically, boron-based nano-materials have also been predicted to be effective for CO 2 capture [14,[16][17][18]. Recent work by Sun et al reported that B 80 fullerene has great potential to capture CO 2 and can separate CO 2 from H 2 , N 2 , and CH 4 [17].…”

Section: Introductionmentioning

confidence: 95%

Modelling CO 2 adsorption and separation on experimentally-realized B 40 fullerene

Gao

Jiao

et al. 2015

Computational Materials Science

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Section: Introductionmentioning

confidence: 95%

Modelling CO 2 adsorption and separation on experimentally-realized B 40 fullerene

Gao

Jiao

et al. 2015

Computational Materials Science

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“…An all electron double numerical atomic orbital basis set augmented by d-polarization functions (DNP) was used. This level of theory has been used to successfully determine the geometrical, energetic and electronic structural properties of interactions of many small molecules and nano-subtracts [31][32][33][34]. All the ccalculations have been performed using DMol3 module in Materials Studio [35][36].…”

Section: Quantum Chemical Calculationmentioning

confidence: 99%

Experimental and theoretical investigations of copper (I/II) complexes with triazine–pyrazole derivatives as ligands and their in situ C–N bond cleavage

Wang¹,

Che²,

Wang³

et al. 2015

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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“…This calculational level has been used to successfully study adsorptions, desorption and the reaction mechanisms of some gases on boron-containing nanomaterials. 5,[25][26][27][28] The adsorption energies (E ads ) of N 2 and CH 4 on B 36 N 36 are calculated from Eq. (1): E ads = (E B36N36 + E gas ) -E B36N36-gas…”

Section: Methodsmentioning

confidence: 99%

Charged-Controlled Separation of Nitrogen from Natural Gas Using Boron Nitride Fullerene

Sun

et al. 2014

J. Phys. Chem. C

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Natural gas (the main component is methane) has been widely used as a fuel and raw material in industry. Removal of nitrogen (N 2 ) from methane (CH 4 ) can reduce the cost of natural gas transport and improve its efficiency. However, their extremely similar size increases the difficulty of separating N 2 from CH 4 . In this study, we have performed a comprehensive investigation of N 2 and CH 4 adsorption on different charge states of boron nitride (BN) nanocage fullerene, B 36 N 36 , by using a density functional theory approach. The calculational results indicate that B 36 N 36 in the negatively charged state has high selectivity in separating N 2 from CH 4 . Moreover, once the extra electron is removed from the BN nanocage, the N 2 will be released from the material. This study demonstrates that the B 36 N 36 fullerene can be used as a highly selective and reusable material for the separation of N 2 from CH 4 . The study also provides a clue to experimental design and application of BN nanomaterials for natural gas purification. Keywordscontrolled, separation, nitrogen, natural, charged, gas, fullerene, boron, nitride Disciplines Engineering | Physical Sciences and Mathematics Publication DetailsSun, Q., Sun, C., . Charged-controlled separation of nitrogen from natural gas using boron nitride fullerene. Abstract: Natural gas (the main component is methane) has been widely used as a fuel and raw material in industry. Removal of nitrogen (N 2 ) from methane (CH 4 ) can reduce the cost of natural gas transport and improve its efficiency. However, their extremely similar size increases the difficulty of separation N 2 from CH 4. In this study, we have performed a comprehensive investigation of N 2 and CH 4 adsorption on different charge states of boron nitride (BN) nanocage fullerene, B 36 N 36 , by using a density functional theory approach. The calculational results indicate that B 36 N 36 in the negatively charged state has high selectivity in separating N 2 from CH 4 . Moreover, once the extra electron is removed from the BN nanocage, the N 2 will be released from the material. This study demonstrates that the B 36 N 36 fullerene can be used as a highly selective and reusable material for the separation of N 2 from CH 4 . The study also provides a clue to experimental design and application of BN nanomaterials for natural gas purification.

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CO2 capture and gas separation on boron carbon nanotubes

Cited by 42 publications

References 49 publications

Modelling CO 2 adsorption and separation on experimentally-realized B 40 fullerene

Modelling CO 2 adsorption and separation on experimentally-realized B 40 fullerene

Experimental and theoretical investigations of copper (I/II) complexes with triazine–pyrazole derivatives as ligands and their in situ C–N bond cleavage

Charged-Controlled Separation of Nitrogen from Natural Gas Using Boron Nitride Fullerene

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