Predictive calculations of gas solubility and permeability in glassy polymeric membranes： An overview  

作　　者：Matteo Minelli Maria G. De Angelis Giulio C. Sarti 

机构地区：[1]Department of Civil, Chemical, Environmental and Materials Engineering, Alma Mater Studiorum-University of Bologna, Bologna 28-40131, Italy

出　　处：《Frontiers of Chemical Science and Engineering》2017年第3期405-413,共9页化学科学与工程前沿（英文版）

摘　　要：The possibility to evaluate in a predictive way the relevant transport properties of low molecular weight species, both gases and vapors, in glassy polymeric membranes is inspected in detail, with particular attention to the methods recently developed based on solid thermodynamic basis. The solubility of pure and mixed gases, diffusivity and permeability of single gases in polymer glasses are examined, considering in particular poly（2,6-dimethyl-1,4-phenylene oxide） as a relevant test case. The procedure clearly indicates what are the relevant physical properties of the polymer matrix and of the penetrants required by the calculations, which can be obtained experimentally through independent measurements. For gas and vapor solubility, the comparison with direct experimental data for mixed gases points out also the ability to account for the significant variations that solubility-selectivity experiences upon variations of pres- sure and/or feed composition. For gas and vapor perme- ability, the comparison with direct experimental data shows the possibility to account for the various different trends observed experimentally as penetrant pressure is increased, including the so-called plasticization behavior. The procedure followed for permeability calculations leads also to clear correlations between permeability and physical properties of both polymer and penetrant, based on which pure predictive calculations are reliably made.The possibility to evaluate in a predictive way the relevant transport properties of low molecular weight species, both gases and vapors, in glassy polymeric membranes is inspected in detail, with particular attention to the methods recently developed based on solid thermodynamic basis. The solubility of pure and mixed gases, diffusivity and permeability of single gases in polymer glasses are examined, considering in particular poly（2,6-dimethyl-1,4-phenylene oxide） as a relevant test case. The procedure clearly indicates what are the relevant physical properties of the polymer matrix and of the penetrants required by the calculations, which can be obtained experimentally through independent measurements. For gas and vapor solubility, the comparison with direct experimental data for mixed gases points out also the ability to account for the significant variations that solubility-selectivity experiences upon variations of pres- sure and/or feed composition. For gas and vapor perme- ability, the comparison with direct experimental data shows the possibility to account for the various different trends observed experimentally as penetrant pressure is increased, including the so-called plasticization behavior. The procedure followed for permeability calculations leads also to clear correlations between permeability and physical properties of both polymer and penetrant, based on which pure predictive calculations are reliably made.

关 键 词：SOLUBILITY PERMEABILITY glassy polymers NELF model diffusion 

分 类 号：TQ221.211[化学工程—有机化工] TQ028.8