Case Studies in Thermal Engineering (Nov 2024)
Influences of surface active-groups on the exothermic properties and oxidation of coal molecules
Abstract
In this study, coal samples' reactive group contents were changed using extractants, and the effects of the reactive group contents spontaneous coal combustion were investigated using infrared spectroscopy, thermogravimetry/derivative thermogravimetry, and differential scanning calorimetry. The results showed that the coal samples' hydroxyl group contents decreased in the order ethylenediamine (3.832 %) > N-methyl-2-pyrollidone mixed solution (2.091 %) > petroleum ether (0.882 %) > toluene (0.495 %) and that the hydroxyl group content was inversely related to the characteristic temperature point. RDG analysis showed that ethylenediamine formed N–H–O hydrogen bonds with hydroxyl-group-bearing molecules, coal molecules formed C–H–O hydrogen bonds with NMP molecules, petroleum ether generated a cumulative dispersive force with aliphatic side chains, and toluene molecules' benzene rings formed a very stable spatial structure with coal molecules' benzene rings. The thermogravimetry/derivative thermogravimetry curves showed that because the characteristic temperature points of the extracted coal samples moved to the high-temperature region from T5 onward, the coal samples had to be heated to a higher temperature to reach the energy required for the reaction. From the DSC thermograms, the exergy decreased in the order toluene (110.68 J/g) > NMP (110.52 J/g) > ethylenediamine (78.29 J/g) > petroleum ether (65.45 J/g). With increasing temperature from T1 to T6, the Pearson correlation coefficients of the alcoholic and phenolic hydroxyl groups were calculated at −0.7, −0.72, −0.93, −0.84, −0.8, −0.8, and −0.93 and −0.72, −0.91, −0.83, −0.79, −0.815, and −0.91, respectively, indicating that the hydroxyl group content influenced the coal's spontaneous combustion more than the other groups' contents.
