Prediction of upper flammability limit percent of pure compounds from their molecular structures

QSPR approach for determination of parachor of non-electrolyte organic compounds

“…The results of application of GA-MLR with RQK fitness function have been satisfactory in previous works (Gharagheizi and Sattari, 2010;Gharagheizi et al, 2009;Gharagheizi, 2007;Gharagheizi, 2009aGharagheizi, , 2009bGharagheizi, , 2009cGharagheizi, , 2009dGharagheizi and Mehrpooya, 2008;Gharagheizi and Alamdari, 2008;Gharagheizi, 2008aGharagheizi, , 2008bGharagheizi, , 2008cGharagheizi and Fazeli, 2008;Sattari and Gharagheizi, 2008;Vatani et al, 2007;Sattari, 2009a, 2009b;Gharagheizi and Mehrpooya, 2008). In order to perform GA-MLR, a program has been written in MATLAB s environment (Mathworks Inc. software).…”

“…Besides, RQK is a constrained fitness function based on Q 2 LOO statistics (leave-one-out cross validated variance) and other four tests that must be fulfilled contemporarily. This function is defined as follows (Gharagheizi and Sattari, 2010;Gharagheizi et al, 2009;Gharagheizi, 2007;Gharagheizi, 2009aGharagheizi, , 2009bGharagheizi, , 2009cGharagheizi, , 2009dGharagheizi and Alamdari, 2008;Gharagheizi, 2008aGharagheizi, , 2008bGharagheizi, , 2008cGharagheizi and Fazeli, 2008;Sattari and Gharagheizi, 2008;Vatani et al, 2007;Sattari, 2009a, 2009b;Gharagheizi and Mehrpooya, 2008):…”

Flammability limits: A review with emphasis on ethanol for aeronautical applications and description of the experimental procedure

“…These authors reported that there are linear relations between the reciprocal of the upper/lower flammability limits and the reciprocal of the molar fraction of hydrocarbon in the hydrocarbon/inert nitrogen mixture. Also, Gharagheizi [19] studied a quantitative structure-property relationship to predict the UFL of pure compounds. The obtained model is a five-parameter multilinear equation.…”

A volatile organic compounds flammability approach for accelerating forest fires

“…These methods can be divided into four categories: empirical equations [19][20][21], critical flame temperature correlations [22,23], structural group contribution methods [24] and neural network methods [25]. As empirical equations are easy to use (i.e.…”