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Klincewicz method : ウィキペディア英語版 | Klincewicz method
In thermodynamic theory, the Klincewicz method〔Klincewicz K.M., Reid R. C., "Estimation of Critical Properties with Group Contribution Methods", ''AIChE Journal'', 30(1), 137-142, 1984〕 is a predictive method based both on group contributions and on a correlation with some basic molecular properties. The method estimates the critical temperature, the critical pressure, and the critical volume of pure components. ==Model description== As a group contribution method the Klincewicz method correlates some structural information of a chemical molecule with the critical data. The used structural information are small functional groups which are assumed to have no interactions. This assumption makes it possible to calculate the thermodynamic properties directly from the sums of the group contributions. The correlation method does not even use these functional groups, only the molecular weight and the number of atoms are used as molecular descriptors. The prediction of the critical temperature relies on the knowledge of the normal boiling point because the method only predicts the relation of the normal boiling point and the critical temperature and not directly the critical temperature. The critical volume and pressure however are directly predicted.
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