Corresponding states method for estimation of upper flammability limit temperature of chemical compounds

Farhad Gharagheizi (1) , Poorandokht Ilani-Kashkouli (2) , Amir H. Mohammadi (3)

1 Department of Chemical Engineering
2 Department of chemical engineering
3 CEP/Fontainebleau

The accuracy and predictability of predictive methods to determine the flammability characteristics of chemical compounds are of drastic significance in the chemical industry. This work aims at continuing application of the gene expression programming (GEP) mathematical strategy to modify the existing thermophysical properties correlations available in the literature to pursue the following objectives: optimization of the number of independent parameters, amplification of the generality, and improvement of the accuracy and predictability. This work deals with presenting a simple corresponding states model to predict the upper flammability limit temperature of 1462 organic compounds from 76 chemical families. The parameters of the correlation include the critical temperature and the acentric factor of the compounds. The obtained statistical parameters including average absolute relative deviation of the results from DIPPR 801 database values (1.7, 1.8, 1.7% for training, optimization, and prediction sets, respectively) demonstrate improved accuracy of the presented correlations.

Mots clés: Acentric factors; Average absolute relative deviations; Chemical family; Corresponding state; Critical temperatures; Flammability characteristics; Gene expression programming; Independent parameters; Predictive methods; Statistical parameters; Upper flammability limits; Thermodynamic properties

Domaines: Génie des procédés

Farhad Gharagheizi, Poorandokht Ilani-Kashkouli, Amir H. Mohammadi. Corresponding states method for estimation of upper flammability limit temperature of chemical compounds. Industrial and engineering chemistry research, 2012, 51 (17), pp.6265-6269. ⟨10.1021/ie300375k⟩. ⟨hal-00796886⟩