中国化学工程学报(英文版)
中國化學工程學報(英文版)
중국화학공정학보(영문판)
CHINESE JOURNAL OF CHEMICAL ENGINEERING
2008年
5期
709-714
,共6页
吴志强%刘志平%汪文川%范益群%徐南平
吳誌彊%劉誌平%汪文川%範益群%徐南平
오지강%류지평%왕문천%범익군%서남평
non-equilibrium molecular dynamics%carbon membrane%transport diflusivity%flux%activation energy
Diffusion of pure H2,CO,N2,O2and CH4 gases through nanoporous carbon membrane is investigated by carrying out non-equilibrium molecular dynamics(NEMD)simulations.The flux,transport diflusivity and acti-vation energy for the pure gases diffusing through carbon membranes with various pore widths were investigated.The simulation results reveal that transport diffusivity increases with temperature and pore width.and its values port diflusivities are comparablc With that of Rao and Sircar(J.Membr.Sci.,1996).indicating the NEMD simula-tion method iS a good toO]for predicting the transport diflusivities for gases in porous materialS.which iS always difficult to be accurately measured by experiments.