Prediction of vaporization enthalpy of pure compounds using a group contribution-based method / Farhad Gharagheizi in Industrial & engineering chemistry research, Vol. 50 N° 10 (Mai 2011)  

Prediction of vaporization enthalpy of pure compounds using a group contribution-based method [texte imprimé] / Farhad Gharagheizi, Auteur ; Omid Babaie, Auteur ; Sahar Mazdeyasna, Auteur . - 2011 . - pp. 6503-6507.
Chimie industrielle
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 50 N° 10 (Mai 2011) . - pp. 6503-6507

Mots-clés :	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