Simulation of Gas Storage in PAFs

Reprinted with permission from M. Cossi, G. Gatti, L. Canti, L. Tei, M. Errahali and L. Marchese, Langmuir, 2012, 28, 14405. Copyright 2012, American Chemical Society. 

Carbon dioxide adsorption in PAFs was also stimulated by the GCMC technique. Results obtained from PAF-30Z (X=l-4) are similar to that of methane, and PAF-302 shows the best performance. In addition, a series of PAF-302 frameworks modified with different functional groups and with different degrees of substitution were investigated. As already seen is some studies, all the functionalized PAFs show obvious enhanced CO2 capture at low pressure and a higher substitution degree will result in higher CO2 

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