Combustion behaviors of hydrogenated and unhydrogenated colophony
esters/petroleum resins using TG-FTIR and DFT analysis
Abstract
The combustion behavior of tackifying resins (such as glycerol ester of
colophony/hydrogenated colophony and C9/hydrogenated C9 petroleum resin,
namely GEC, GEHC, C9PR and HC9PR, respectively) were investigated using
TG-FTIR and density functional theory (DFT) analyses. Results from
combustion characteristics indicate tackifying resins and their wastes
are a promising fuel for generating energy. The average activation
energies obtained by Friedman method for GEC, GEHC, C9PR and HC9PR were
223.51, 162.16, 166.52 and 116.20 kJ/mol, respectively, revealing that
(H)C9PR were more readily combustible than GE(H)C, and their
hydrogenated products burned more easily than their unhydrogenated ones,
which were strongly supported by the TG-FTIR results. DFT calculations
also show that the bond dissociation energy of C-C bond of GEC is higher
than those of C9PR and GEHC. The best appropriate reaction mechanism
evaluated by integral master plots is f(α)=3(1-α)2/3. Volatiles are
mainly composed of H2O, CH4, CO2, CO, alcohol, aromatic and carbonyl
compounds.