The Research Of Coupling Of Metal-Organic Frameworks And Ionic Liquid Capturing Carbon Dioxide

The enlargement of the synthesis of ZIF-7and ZIF-8with solvothermal synthesis to prepare ZIFs is firstly studied in this paper. The previous synthetic solution is expanded7.5times. The reaction is proceeded in the150ml reaction kettle with PTFE interior. X-ray diffraction (XRD) data of the products is compared with the standard XRD spectra to study if the position,value and shape of characteristic peak are all consistent with the standard XRD spectra,if the products are reliable and if the scaling effect existed in the enlarged experiment. And we determine the preparation method according to the results of enlarged experiment.The adsorption of ZIF-7and ZIF-8are simulated with GCMC in Materials Studio software package. The comparision with results and literature value is taken to see if the cells, fields and details in GCMC simulation are reliable and accurate. The adsorption isotherms, isosteric heat, distribution of mass density, adsorption site are main information supposed to get from which we can summarize regularity of adsorption. The solubility of CO2in [OMIM][Tf2N] and [OMIM][PF6] is estimated with UNIFAC model and the results are compared with experimental data to inspected accuracy and reliability of the results. The lever rule is used between GCMC simulation and UNIFAC model to predicted CO2solubility in coupling of ZIFs and ILs.The coupling of adsorption and absorption composed with different proportion of zeolitic imidazolate frameworks and ionic liquids is experimental studied to capture carbon dioxide. The solubility of CO2in the coupling of adsorption and absorption is experimental measured at243.15K、258.15K、273.15K、288.15K、298.15K. The experimental data shows the rule of CO2solubility in the coupling and how the results matches lever rule which provides very important basis and reference to the research of coupling of adsorption and absorption.