首页> 中文期刊> 《中国化学工程学报(英文版)》 >连锁结构金属-有机骨架材料强化甲烷吸附的分子模拟研究

连锁结构金属-有机骨架材料强化甲烷吸附的分子模拟研究

         

摘要

A systematic molecular simulation study was performed to investigate the effect of catenation on meth-ane adsorption in metal-organic frameworks (MOFs).Four pairs of isoreticular MOFs (IRMOFs) with and without catenation were adopted and their capacities for methane adsorption were compared at room temperature. The pre-sent work showed that catenation could greatly enhance the storage capacity of methane in MOFs, due to the for-mation of additional small pores and adsorption sites formed by the catenation of frameworks. In addition, the simulation results obtained at 298 K and 3.5 MPa showed that catenated MOFs could easily meet the requirement for methane storage in porous materials.

著录项

  • 来源
    《中国化学工程学报(英文版)》 |2009年第4期|580-584|共5页
  • 作者单位

    Laboratory of Computational Chemistry, Department of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China;

    Laboratory of Computational Chemistry, Department of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China;

    Laboratory of Computational Chemistry, Department of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China;

    Laboratory of Computational Chemistry, Department of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China;

  • 原文格式 PDF
  • 正文语种 chi
  • 中图分类 化工过程(物理过程及物理化学过程);
  • 关键词

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