Graphdiyne as Hydrogen Purification Membrane
- Received Date: 2012-04-13
Abstract: The permselectivity of H2/O2、H2/N2、H2/CO, and H2/CH4 mixtures passing a graphdiyne membrane is studied by molecular dynamics simulations. At pressure range of 0.047～4.5 GPa, H2 can pass the graphdiyen membrane quickly, while all the O2, N2, CO, and CH4 molecules are blocked. At pressure of 47 kPa, the hydrogen flow is 7 mol/m2s. With increase of pressure, the hydrogen flow goes up, and reaches maximum of 6×105 mol/m2s at 1.5 GPa. Compared to other known membranes, graphdiyne can be used for means of hydrogen purification with the best balance of high selectivity and high permeance.
|Citation:||Wen-hui Zhao, Lan-feng Yuan, Jin-long Yang. Graphdiyne as Hydrogen Purification Membrane[J]. Chinese Journal of Chemical Physics , 2012, 25(4): 434-440. doi: 10.1088/1674-0068/25/04/434-440|