화학공학소재연구정보센터
Industrial & Engineering Chemistry Research, Vol.46, No.19, 6326-6331, 2007
Prediction of solubility of the aromatic compounds in supercritical CO2 using molecular topology
Enlightened by inductive-deductive thought, through the introduction of molecular topology into the supercritical field, the relation of aromatic solutes' solubility to their molecular structures is developed by a one-off correlation of large training sets, and then this inductive relation has been used to predict the 148 solubility data for other 10 aromatic compounds.