| Titre : | Prediction of triple-point temperature of pure components using their Chemical Structures (2010) |
| Auteurs : | Farhad Gharagheizi, Auteur ; Sattari, Mehdi, Auteur |
| Type de document : | Article : texte imprimé |
| Dans : | Industrial & engineering chemistry research (Vol. 49 N° 2, Janvier 2010) |
| Article en page(s) : | pp 929–932 |
| Note générale : | Chimie industrielle |
| Langues : | Anglais |
| Tags : | Triple-point temperature Chemical structures. |
| Résumé : | A quantitative structure property relationship study was performed to develop a model for the prediction of triple-point temperature of pure components. For developing this model, 638 pure components were used, and, for whichever, 1664 molecular descriptors were determined. As a standard tool for subset variable selection, genetic algorithm-based multivariate linear regression (GA-MLR) technique was used. The obtained model is a seven parameters multilinear equation that has a squared correlation coefficient of 0.9410 (R2 = 0.9410). |
| DEWEY : | 660 |
| ISSN : | 0888-5885 |
| En ligne : | http://pubs.acs.org/doi/abs/10.1021/ie901029m |
