Joback method: Difference between revisions

Revision as of 06:44, 10 September 2024

Revision as of 15:28, 14 January 2025

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The '''Joback method''', often named '''Joback–Reid method''', [[Prediction|predicts]] eleven important and commonly used pure component thermodynamic properties from molecular structure only. It is named after Kevin G. Joback in 1984 and developed it further with Robert C. Reid.<ref>Joback K. G., Reid R. C., "Estimation of Pure-Component Properties from Group-Contributions", ''Chem. Eng. Commun.'', 57, 233–243, 1987.</ref> (often namedThe '''Joback/Reid method''') is an extension of the [[Prediction|predictsLydersen method]]<ref>Lydersen elevenA. L., important"Estimation of Critical Properties of Organic Compounds", University of Wisconsin College Engineering, ''Eng. Exp. Stn. Rep.'' 3, Madison, Wisconsin, 1955.</ref> and commonlyuses usedvery puresimilar componentgroups, thermodynamicformulas, and parameters for the three properties fromthe molecularLydersen structurealready onlysupported ([[critical temperature]], [[critical pressure]], critical volume).

Joback and Reid extended the range of supported properties, created new parameters and modified slightly the formulas of the old Lydersen method.

== Basic principles ==

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Nine of the properties are single temperature-independent values, mostly estimated by a simple sum of group contribution plus an addend.

Two of the estimated properties are temperature-dependent: the ideal-gas [[heat capacity]] and the dynamic [[viscosity]] of liquids. The heat-capacity [[polynomial]] uses 4 parameters, and the viscosity equation only 2. In both cases the equation parameters are calculated by group contributions.

=== History ===

The Joback method is an extension of the [[Lydersen method]]<ref>Lydersen A. L., "Estimation of Critical Properties of Organic Compounds", University of Wisconsin College Engineering, ''Eng. Exp. Stn. Rep.'' 3, Madison, Wisconsin, 1955.</ref> and uses very similar groups, formulas, and parameters for the three properties the Lydersen already supported ([[critical temperature]], [[critical pressure]], critical volume).

Joback extended the range of supported properties, created new parameters and modified slightly the formulas of the old Lydersen method.

==Model strengths and weaknesses==