Study on the Sorption Process of Carbon Dioxide by ZIF-8(Zn)Based on GCMC Method
Utilizing solid adsorbent materials for the physical adsorption process of carbon dioxide holds great promise in carbon capture and energy consumption reduction.ZIF-8(Zn),characterized by robust stability and substantial porosity as a metal-organic framework material,presents favorable prospects for practical applications.Leveraging grand canonical Monte Carlo(GCMC),this study simulates the process of CO2 adsorption on ZIF-8(Zn).Concurrently,the CO2 adsorption isotherms of ZIF-8(Zn)are experimentally determined through the volume method,substantiating the relative reliability of the simulation results.Building upon this foundation,adsorption capacities and heats under diverse temperature and pressure conditions are computed.The findings reveal a temperature-dependent decline in adsorption capacity,while adsorption capacity increases with pressure,initially exhibiting a rapid ascent followed by a gradual plateau.The adsorption heat between ZIF-8(Zn)and CO2 surpasses that among CO2 molecules,with intermolecular adsorption heat of CC2increasing with pressure or for the carbon dioxide adsorption process on ZIF-8(Zn).
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