A bio-metal-organic framework for highly selective CO(2) capture: A molecular simulation study.


A recently synthesized bio-metal-organic framework (bio-MOF-11) is investigated for CO(2) capture by molecular simulation. The adenine biomolecular linkers in bio-MOF-11 contain Lewis basic amino and pyrimidine groups as the preferential adsorption sites. The simulated and experimental adsorption isotherms of pure CO(2), H(2), and N(2) are in perfect… (More)
DOI: 10.1002/cssc.201000080


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