New Group-Contribution Method for Predicting Temperature-Dependent Properties of Pure Organic Compounds
- 264 Downloads
A new method for predicting temperature-dependent properties of organic compounds is presented. It is a combination of a group-contribution method with the novel non-random hydrogen-bonding (NRHB) equation-of-state theory. First-order and second-order groups are used to predict the three characteristic scaling constants of the NRHB model. With these scaling constants, one is able to estimate/predict temperature-dependent properties of pure organic compounds such as vapor pressure, liquid density, heat of vaporization and more, in a wide range of temperatures. The influence parameter, κ, which is needed for the estimation of surface tension at any given temperature, is also predicted by the same group-contribution method
Keywordsequation of state group-contribution method NRHB theory temperature-dependent properties
Unable to display preview. Download preview PDF.
- 11.Daubert, T.E., Danner, R.P. 1989Physical and Thermodynamic Properties of Pure Compounds: Data CompilationHemisphereNew YorkGoogle Scholar
- 12.Fredeslund, A., Sørensen, J.M. 1994Group Contribution Estimation MethodSandler, S.I eds. Models for hermodynamic and Phase Equilibria Calculations.Marcel Dekker Inc.New York325329Google Scholar