Journal
CANADIAN JOURNAL OF CHEMICAL ENGINEERING
Volume 90, Issue 2, Pages 367-376Publisher
WILEY
DOI: 10.1002/cjce.20646
Keywords
thermodynamics
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The molar heat capacities of 38 pure solvents used for CO2 capture studies are reported in the temperature range of 303.15393.15?K and atmospheric pressure. Existing structural similarities between these compounds were explored using a group additivity analysis (GAA) and molecular connectivity principles in terms of the reported heat capacity data. Group additivity yields the estimates of CH3, CH2, CH, C, ?CH, NH2, NH, N, ?N, OH, O and ?O group contributions to the molar heat capacities at each investigated temperature. Molecular connectivity approach provides a single equation that models the molar heat capacities of amines over the investigated temperature range. Absolute average deviations for the GAA were found to be <2.5%, and <3% for the molecular connectivity analysis. The developed equations were tested by predicting the molar heat capacities of solvents newly proposed for CO2 capture.
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