Chemical Engineering Communications, Vol.190, No.10, 1335-1347, 2003
Comprehensive models for predicting aromaticity of coals
The principal objective of the present study is to develop suitable models to predict aromaticity of coals on the basis of atomic ratios of the H/C, O/C O/H, and weight percentage volatile matter (V.M.) in coals. Based on dry mineral matter free (dmmf) basis, aromaticity (fa) of coal is computed through the following expressions:fa(1) = 1.202913 - 0.01216* V.M., (2)fa(2) = 1.36396 - 0.53715*O/C - 0.7846*H/C, (3)fa(3) = 1.365615 - 0.51187*O/C - 0.02108*O/H - 0.78645*H/C, (4)fa(4) =174.4405 + 621.6823*O/C - 856.495*O/H - 629.617*H/C + 9.133897*V.M. (5)The absolute average % error of estimate and correlation coefficients of the developed models (Equations (2), (3) (4), and (5)) were found to be 7.48.0.91: 6.23. 0.92; 6.24, 0.92; and 6.23, 0.92 on (dmmf) basis, respectively.