GC-NORM-based thermodynamic framework for evaluations of organic reactions involving carbon dioxide utilization

Chemical Engineering Science(2023)

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摘要
•A comprehensive experimental dataset with thermodynamic properties is constructed.•A GC-NORM-based framework is established to predict thermodynamic properties.•The GC and NORM methods complement with each other to better predict properties.•The framework provides predictions of the reaction heat for CO2 utilization.•The framework aids in retrosynthesis plannings for products from CO2 raw materials.
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关键词
Carbon utilization,Retrosynthesis planning,Thermodynamic property,Group contribution,Norm index
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