H2/CH4 Gas Separation by Variation in Pore Geometry of Nanoporous Graphene
| Autor: | Bharath Raghavan, Tribikram Gupta |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
Materials science
Hydrogen Nanoporous Graphene chemistry.chemical_element Geometry 02 engineering and technology Permeance 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials law.invention Molecular dynamics General Energy Adsorption chemistry law Atom Gas separation Physical and Theoretical Chemistry 0210 nano-technology |
| Zdroj: | The Journal of Physical Chemistry C. 121:1904-1909 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.6b08662 |
| Popis: | We studied the behavior of H2 and CH4 flowing through various pore geometries of nanoporous graphene using molecular dynamics method. Ten different geometries of pore-18, with different eccentricities, were prepared. It was found that the gas permeance and adsorption layer were heavily influenced by the eccentricity of the pores. On further investigation, it was also found that the jaggedness of the pore geometry played a role as well. It was also noted that at specific eccentricities, pore-18 exhibited hydrogen selective behavior, which was found to extend to pore-12, -14, -16, -20, -24, and -30 as well. Furthermore, it was shown that the H2 permeance of these pores can reach 9 times the value of that of pore-10 (which was previously found to be the only selective pore). Hence, these pores show H2 selectivity with high H2 yields. Thus, this study demonstrates the exciting possibility of creating highly efficient H2 separators by pore geometry variation. Recent experimental studies, which involve an atom-... |
| Databáze: | OpenAIRE |
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