Xia Shuqian

A Modification of α in SRK Equation of State and Vapor-Liquid Equilibria Prediction

Abstract Based on results of saturated vapor pressures of pure substances calculated by SRK equation of state, the factor α in attractive pressure term was modified. Vapor-liquid equilibria of mixtures were calculated by original and modified SRK equation of state combined with MHV1 mixing rule and UNIFAC model, respectively. For 1447 saturated pressure points of 37 substance including alkanes; organics containing chlorine, fluorine, and oxygen; inorganic gases and water, the original SRK equation of state predicted pressure with an average deviation of 2.521% and modified one 1.673%. Binary vapor-liquid equilibria of alcohols containing mixtures and water containing mixtures also indicated that the SRK equation of state with the modified α had a better precision than that with the original one.

Structure-Property Relationship for the Pharmacological and Toxicological Activity of Heterocyclic Compounds

MA Pei-Sheng4 (School of Science, Tianjin University of Urban Construction, Tianjin 300384, P. R. China; School of Material Science and Chemical Engineering, Tianjin University of Science and Technology, Tianjin 300457, P. R. China; School of Marine Science and Engineering, Tianjin University of Science and Technology, Tianjin 300457, P. R. China; School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, P. R. China)