Chemical and pharmaceutical separations in nanocrystalline materials:A molecular simulation perspect

来源 :The 5th Sino-US joint Conference of Chemical Engineering(第五届 | 被引量 : 0次 | 上传用户:lymoso
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  Metal-organic frameworks (MOFs) are versatile hybrid nanocrystalline materials and regarded as promising candidates for storage, separation, catalysis and other emerging apphcations.A molecular simulation study is presented for the separation of industrially important gas mixtures (CO2/H2, CO2/CH4and CO2/N2) in zeolite-like metal-organic framework (ZMOF),a unique subset of MOFs.At ambient temperature and pressure,the selectivities are 1800 for CO2/n2 mixture, 80 for CO2/CH4mixture, and 500 for CO2/N2 mixture.
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