Adsorption and Separation of CO2/N2 in Metal Organic Frameworks: A Theoretical Investigation
Source abstract
Abstract
摘 要: 金属有机框架(MOFs)材料在 CO 2 的捕获与分离方面受到广泛关注。本工作结合分子动力学(MD)和巨正则 蒙特卡洛(GCMC)模拟方法探究了一种 MOFs 材料 DUT-49 的负性气体吸附过程及结构转变对 CO 2 /N 2 吸附分离行 为的影响。结果表明: 在 20~60 MPa 的压强下, DUT-49 均发生可稳定存在的结构变形, 实现开孔(DUT-49-op)和闭 孔(DUT
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Source: openalex_inverted_index · Quality: short
Research context
OpenAlex topics: Metal-Organic Frameworks: Synthesis and Applications · Carbon Dioxide Capture Technologies · Covalent Organic Framework Applications
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