Corresponding States Method for Estimation of Upper Flammability Limit Temperature of Chemical Compounds

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.