Mechanistic Investigation of the Pyrolysis of Brown Grease

Table 3

Calculated radical reactions of fatty acids at B3LYP/6-31G.

Reactions					ΔHgas	Notes
C3H7COOH	C3H7	⟶	C3H7COO ∙	C3H8	−3.7 (−1.2)
C3H7COO ∙		⟶	C3H7 ∙	CO2	−45.5 (−35.2)	a
C3H7COOH	C3H7	⟶	C3H7CO ∙	C3H7OH	69.9 (67.1)	b
C3H7CO ∙		⟶	C3H7 ∙	CO	60.0 (67.1)	c
C3H7CO ∙	C3H8	⟶	C3H7 ∙	C3H7CHO	54.1 (51.3)	d

Values in parenthesis are in ethyl acetate. a, CO₂ observed in pyrolysis; b, traces of alcohol formed in pyrolysis; c, large temperature drops during spurts of CO evolution; d, traces of aldehydes formed in pyrolysis.