| Titre : | Prediction of vaporization enthalpy of pure compounds using a group contribution-based method (2011) |
| Auteurs : | Farhad Gharagheizi, Auteur ; Omid Babaie, Auteur ; Sahar Mazdeyasna, Auteur |
| Type de document : | Article : texte imprimé |
| Dans : | Industrial & engineering chemistry research (Vol. 50 N° 10, Mai 2011) |
| Article en page(s) : | pp. 6503-6507 |
| Note générale : | Chimie industrielle |
| Langues : | Anglais |
| Tags : | Thermodynamic properties Enthalpy Vaporization Prediction |
| Résumé : | In this work, the artificial neural network-group contribution (ANN-GC) method is applied to estimate the vaporization enthalpy of pure chemical compounds at their normal boiling point. A group of 4907 pure compounds from various chemical families are investigated to propose a comprehensive and predictive model. The obtained results show the squared correlation coeffident (R2) of 0.993, root mean square error of 1.1 kJ/mol, and average absolute deviation lower than 1.5% for the estimated properties from existing experimental values. |
| DEWEY : | 660 |
| ISSN : | 0888-5885 |
| En ligne : | http://cat.inist.fr/?aModele=afficheN&cpsidt=24158948 |
