Table 1.

Reactions of active HAP species in CMAQ-CB6.

Rxn ID	Reaction represented	Rate expression	K298	Notes
T10	BUTADIENE13 + OH = OH + 0.58 × ACROLEIN	1.48 × 10−11 exp(448/T)	6.6 × 10−11	Reaction rate (Calvert et al., 2000); yield of acrolein (Tuazon et al., 1999)
T11	BUTADIENE13 + O3 = O3 + 0.52 × ACROLEIN	1.34 × 10−14exp(−2283/T)	6.31 × 10−18	Reaction rate (Calvert et al., 2000); yield of acrolein (Tuazon et al., 1999)
T12	BUTADIENE13 + NO3 = NO3 + 0.045 × ACROLEIN	1.79 × 10−13	1.79 × 10−13	Yarwood et al.(2005); yield of acrolein (Tuazon et al., 1999)
TCL3	BUTADIENE13 + CL = CL + 0.58 × ACROLEIN	2.51 × 10−10	2.51 × 10−10	(Stutz et al., 1998), same yield as in OH reaction
T17	ACROLEIN + OH = OH	2.0 × 10−11	2.0 × 10−11	Orlando and Tyndall, (2002)
T18	ACROLEIN + O3 = O3	2.61 × 10−19	2.6 × 10−19	Grosjean et al. (1993)
T19	ACROLEIN + NO3 = NO3	1.15 × 10−15	1.15 × 10−15	Calvert et al. (2011)
T20	ACROLEIN =	Uses photo rates
TCL5	ACROLEIN + CL = CL	2.37 × 10−10	2.4 × 10−10	Calvert et al. (2011)
T21	TOLU + OH = OH	1.8 × 10−12exp(340/T)	5. × 10−12	Same as CB6 rate for model species TOL + OH
TCL6	TOLU + CL = CL	6.1 × 10−11	6.1 × 10−11	Shi and Bernhard, (1997)
R185a	NAPH + OH = 0.155 × CRES + 0.544 × XLO2 + 0.602 × RO2 + 0.244 × XOPN + 0.244 × OH+ 0.058 × XO2H + 0.155 × HO2 + PAHRO2	1.85 × 10−11	1.9 × 10−11	Same reaction rate and products as CB6 model species XYL; napthalene emissions are not included in XYL but modeled explicitly with this reaction.
T02-T05; TCL1	Formaldehyde primary decay reactions only	Same reaction rates as FORM in base mechanism, reactions R96-R100; CL16		Reactive tracer to account for formaldehyde from emissions only.
T06-T09; TCL2	Acetaldehyde primary decay reactions only	Same reaction rates as ALD2 in base mechanism, reactions R105-R108; CL17		Reactive tracer to account for acetaldehyde from emissions only.
T13-T16; TCL5	Acrolein decay reactions only	Same reaction rates as T17-T20; TCL5		Reactive tracer to account for acrolein from emissions only.