ESTIMATION OF PURE-COMPONENT PROPERTIES FROM GROUP-CONTRIBUTIONS

Abstract Simple group-contribution methods are proposed to estimate eleven important physical properties of pure materials. A common set of structural groups was employed. High accuracy is not claimed, but the proposed methods are often as accurate as or more accurate than techniques in common use today.

[1]  J. Friend,et al.  XC. Viscosity and the hydrogen bond , 1945 .

[2]  L. H. Thomas,et al.  The dependence of the viscosities of liquids on reduced temperature, and a relation between viscosity, density, and chemical constitution. , 1946, Journal of the Chemical Society.

[3]  J. L. Franklin.  Prediction of Heat and Free Energies of Organic Compounds , 1949 .

[4]  D. V. Krevelen,et al.  Erratum: Estimation of the free enthalpy (Gibbs free energy) of formation of organic compounds from group contributions)☆ , 1952 .

[5]  L. Doraiswamy,et al.  Estimation of Heat Capacity of Organic Compounds from Group Contributions , 1965 .

[6]  L. Doraiswamy,et al.  Estimation of Heats of Formation of Organic Compounds , 1965 .

[7]  D. R. Stull,et al.  The chemical thermodynamics of organic compounds , 1969 .

[8]  D. Golden,et al.  Additivity rules for the estimation of thermochemical properties , 1969 .

[9]  D. V. Velzen,et al.  A Liquid Viscosity-Temperature-Chemical Constitution Relation for Organic Compounds , 1972 .

[10]  A. Cingolani,et al.  Thermodynamic properties of organic compounds , 1974 .

[11]  Tran Phuc Thinh,et al.  Estimation of standard heats of formation ΔH *fT, standard entropies of formation ΔS *fT, standard free energies of formation ΔF *fT and absolute entropies S *fT of hydrocarbons from group contributions: An accurate approach , 1976 .

[12]  Prediction of critical temperatures, pressures, and volumes of organic compounds from molecular structure , 1982 .

[13]  Kevin G Joback,et al.  A unified approach to physical property estimation using multivariate statistical techniques , 1984 .

[14]  Robert C. Reid,et al.  Estimation of critical properties with group contribution methods , 1984 .