Table 10.

Free energy of transition states and products relative to sPEEK model molecule +H₃O⁺ + OH

sPEEK model	Transition State	G (kcal/mol)	Product	G(kcal/mol
sPEEK1PH1	SPEEK1PH1OH1TS	−10.1	PHENOL + SPEEK1PH1OH1-P	−35.6
sPEEK1PH4	SPEEK1PH4OH4TS	−1.7	SPEEK1OH4-P + OCH3	−32.7
sPEEK1	SPEEK1OH6TS	−11.3	SPEEK1OH6-P + HSO3	−27.2
sPEEK1	H2O-ETS	7.5	sPEEK1+ + 2H2O	−40.8
sPEEK1	H2O-ETS-2	−8.8	sPEEK1+ + 2H2O	−40.8
sPEEK1	N/A	N/A	sPEEK1OH6-P2 + H2SO4	−5.5
sPEEK1	N/A	N/A	sPEEK1OH6-P3 + HSO4	−2.7
sPEEK1	N/A	N/A	sPEEK1OH6-P4 + H2SO3	−33.9