Abstract
CO2-related reactions and their species play an important role in atmospheric and radiolysis chemistry. However, there remains a lack of temperature and pressure dependent reaction rates for many chemical reactions that are necessary for constructing relevant reaction mechanisms. 8 important atmospheric and radiolysis chemical reactions are investigated theoretically at the rev-DSD/j3z, CCSD/ACCD and CCSD(T)/CBS levels. The temperature, pressure-dependent rate constants are obtained by the RRKM/ME method, which show a reasonable agreement with the reported values. Based on our results, the mechanisms of correlation reaction of CO2 reaction network are refined and provide guidance for studying the directed conversion of CO2.
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