Group contribution method for standard molar volumes of aqueous aliphatic alcohols, ethers and ketones over extended ranges of temperature and pressure
Cibulka, I. and Hnědkovský, L. (2011) Group contribution method for standard molar volumes of aqueous aliphatic alcohols, ethers and ketones over extended ranges of temperature and pressure. The Journal of Chemical Thermodynamics, 43 (8). pp. 1215-1223.
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A group contribution method applicable over wide ranges of temperature and pressure was developed for standard molar volume of aqueous oxygenated derivatives of aliphatic hydrocarbons, namely alcohols, ethers, and ketones. Group and structural contributions were evaluated using experimental data measured in the laboratory for 21 solutes at temperatures from (298 to 573) K and under pressures up to 30 MPa. Two variations of the group additivity scheme were considered and the role of a co-volume term was examined. Different characteristics in evolution of group contributions of hydrophobic and hydrophilic groups with temperature and pressure were observed. Predictive abilities of the method were tested using data taken from the literature and those measured in the laboratory for aqueous polyhydric aliphatic alcohols.
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