| The storage of methane and hydrogen and the separation of HFC-134a are of great importance from the environment view. Because of its stability, abundantly pores and high BET areas, the carbon materials have excellent advantages on gas storage and separation. The adsorption of methane and hydrogen on the irradiated single-walled carbon nanotube (SWNT) and the separation of HFC-134a on activated carbon fibers (ACF) are investigated by experiment and Grand Canonical Monte Carlo molecular simulation (GCMC) method. The conclusions can be summarized as follows:1. By experiment and GCMC method, the adsorption isotherms of nitrogen at different pore sizes on SWNT are discussed. Based on the result, pore size distribution (PSD) is obtained by the combination method of GCMC and statistic integral equation (SIE).2. The adsorption isotherms of hydrogen at 77 K and 298 K, methane at 298 K are obtained by GCMC method. It shows that the uptake of hydrogen reaches 1.5 wt%at temperature of 298 K and 12 MPa, and it changes to 7wt%at temperature of 77 K. The uptake of methane can reach 108 V/V at 298K and 3.5 MPa. The results indicate that the irradiated SWNT shows good adsorption capacity.3. By GCMC method, the adsorption isotherms of nitrogen at different pore sizes of ACF are discussed, and the PSD of ACF is obtained by GCMC and SIE.4. The adsorption and separation of N2/HFC-134a (1,1,1,2-tetrafluoroethane) binary mixture on activated carbon fibers (ACF) are discussed by molecular simulation method. Adsorption isotherms of pure nitrogen, HFC-134a and binary mixture N2/HFC-134a at different pressure, temperature and pore size are obtained. Based on the adsorption isotherms, the selectivities are discussed. The results show that the smaller pore size, the lower pressure and lower temperature are in favor of separating HFC-134a from air. At room temperature, the selectivity of HFC-134a over nitrogen can reach 62 on ACF, indicating that ACF can preferably separate a small amount of HFC-134a from air.
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