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SIMULATION AS A TOOL IN THE DEVELOPMENT OF METAL-ORGANIC FRAMEWORKS FOR THE SEPARATION OF CARBON DIOXIDE

机译:仿真作为金属有机框架开发用于分离二氧化碳的工具

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CO2 separation technologies such as Pressure Swing Adsorption [1] (PSA) and Vacuum Swing Adsorption [2] (VSA) rely on selective adsorbents to capture CO2 from the gas stream while allowing other gases to pass through. A wide range of materials have been suggested as useful adsorbents, such as zeolites [3] and Metal-Organic Frameworks [4] (MOFs). The practical use of MOFs in CO2 capture from mixtures such as flue gas is often limited by the interactions of the framework with water, both in the amount of water adsorbed and also in the hydrothermal stability of the framework. For instance the MOF Cu3(BTC)2 has been shown to have a high selectivity of CO2 over other gases such as N2 [5]. However it has also been shown to be strongly hydrophilic, as well as losing porosity in high humidity environments [6-7].
机译:CO2分离技术,如压力摆动[1](PSA)和真空回波吸附[2](VSA)依赖于选择性吸附剂以捕获来自气流的CO 2,同时允许其他气体通过。已经提出了各种材料作为有用的吸附剂,例如沸石[3]和金属 - 有机框架[4](MOF)。 MOF在CO2中的MOF从烟道等混合物中的实际用途通常受框架与水的相互作用的限制,这两者都在吸附的水量和框架的水热稳定性中。例如,已显示MOF Cu 3(BTC)2在其他气体(如N2 [5])上具有高选择性CO 2。然而,它也被证明是强烈的亲水性的,以及高湿度环境中的孔隙率[6-7]。

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