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. Author manuscript; available in PMC: 2018 Aug 22.
Published in final edited form as: Geosci Model Dev. 2017;10(4):1587–1605. doi: 10.5194/gmd-10-1587-2017

Table 1.

Comparison of cloud chemistry models included in CMAQv5.1.

Process AQCHEM standard AQCHEM - KMT AQCHEM - KMTI
Solver Forward Euler Rodas3 (Rosenbrock) Rodas3 (Rosenbrock)
Gas-aqueous
mass transfer
Henry’s law equilibrium Kinetic mass transfer with gas
diffusion/interfacial limitation
Kinetic mass transfer with gas
diffusion/interfacial limitation
Ionic dissociation Equilibrium Forward/reverse reactions Forward/reverse reactions
Chemistry 5 SO2 to SO42 oxidation reactions + 2 SOA-forming reactions from glyoxal and methylglyoxal Same mechanism as AQCHEM (includes aqueous diffusion correction for O3) AQCHEM mechanism + IEPOX/MPAN chemistry (includes aqueous diffusion correction for O3, and IEPOX/MPAN)
pH [H+ ] estimated at each time step using a bisection method while maintaining electroneutrality Dynamic [H+] (initial value is based on activated aerosol ions at t = 0 assuming electroneutrality) Dynamic [H+] (initial value is based on activated aerosol ions at t = 0 assuming electroneutrality)
Other Instantaneous activation of all accumulation- and coarse-mode species Instantaneous activation of all accumulation- and coarse-mode species Instantaneous activation of all accumulation- and coarse-mode species