Prediction of Solubility of the Aromatic Compounds in Supercritical CO2 Using Molecular Topology
Guohua Tian, Junsu Jin, Zeting Zhang · Industrial & Engineering Chemistry Research · 2007
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.