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A porous Zr-carboxylate based MOF functionalized with two free carboxylic groups on the terephthalate linkers was computationally explored for its membrane-based CO2 capture performances. This material in a pure or in a composite membrane was predicted to outperform Robeson's upper bound for two strategic gas mixtures (CO2/CH4 and CO2/N2).
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Wu et al. (2013) studied this question.
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