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, ...
Chemical Structure-Based Model for Estimation of the Upper Flammability Limit of Pure Compounds
In the present work, a new molecular-based model is presented for estimation of the upper flammability limit (UFL) of pure compounds. The parameters of the model are the number of occurrences of a new collection of 113 functional groups. On the basis of these 113 functional groups, a feed-forward neural network is presented to estimate the UFL of pure compounds. The squared correlation coefficient, absolute percent error, standard deviation, and root-mean-square error of the model over the 867 pure compounds used for the development of the model are 0.9469, 7.07%, 0.883, 0.882, respectively. Therefore, the model is accurate and can be used to predict the UFL for a wide range of pure compounds.
A preliminary account of a new tyrannosauroid theropod from the Wessex Formation (Early Cretaceous) of southern England
Abstract A new genus and species of coelurosaurian theropod dinosaur from the Wessex Formation (Early Cretaceous, Barremian) of the Isle of Wight, England, is described and named. Distinctive characters of the premaxilla, its dentition, maxilla and nasals allow it to be diagnosed. The teeth in the premaxilla are D-shaped in cross-section and the nasals are fused. The hands are elongate and slender and the hindlimbs are gracile. Lack of element fusion elsewhere in the skeleton suggests that it is a subadult. Numerous character states are shared with tyrannosaurids but the new taxon appears to be excluded from the group that comprises aublysodontine and tyrannosaurine tyrannosaurids. We conclude that the taxon is a basal tyrannosauroid and as such it is one of the earliest and (with the exception of some teeth and an isolated ilium from Portugal) the first from Europe. Implications for tyrannosauroid biogeography and evolution are discussed. The animal was part of an unusual taphonomic assemblage in which some elements were partially articulated while others were scattered or broken.