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Wang, Jun; Jia, Chun-Sheng; Li, Chang-Jun; Peng, Xiao-Long; Zhang, Lie-Hui; Liu, Jian-Yi
ACS omega, 11/2019, Letnik: 4, Številka: 21Journal Article
We first report three reliable analytical expressions of the entropy, enthalpy and Gibbs free energy of carbon dioxide (CO2) and perform predictions of these three thermodynamic quantities on the basis of the proposed analytical expressions and in terms of experimental values of five molecular constants for CO2. The average relative deviations of the calculated values from the National Institute of Standards and Technology database over the temperature range from 300 to 6000 K are merely 0.053, 0.95, and 0.070%, respectively, for the entropy, enthalpy, and Gibbs free energy. The present predictive expressions are away from the utilization of plenty of experimental spectroscopy data and are applicable to treat CO2 capture and storage processes.
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