Mechanistic Investigation of the Pyrolysis of Brown Grease

Figure 4

PED for palmitone formation via enol form of the palmitic acid-ketene adduct (Pathway A2). Relative energies calculated at B3LYP/6-31G(d) (blue line), B3LYP/6-31 + G(d), and M062x/6-31G(d) (red line).