Research Article

Mechanistic Investigation of the Pyrolysis of Brown Grease

Table 4

Relative energies, enthalpies, Gibbs energies, activation energies, and Gibbs energies of activation for the dissociation reactions of oleic acid at uB3LYP/6-31G(d) (in kJ mol−1) at 298 K.

Type of dissociationΔEΔHΔGΔEΔG

(C7–C8) cleavage276283245376364
(C1–C2) cleavage362374329447442
(C8–H) cleavage332337323400390