Wm. Gong et Hr. Cho, A NUMERICAL SCHEME FOR THE INTEGRATION OF THE GAS-PHASE CHEMICAL RATE-EQUATIONS IN 3-DIMENSIONAL ATMOSPHERIC MODELS, Atmospheric environment. Part A, General topics, 27(14), 1993, pp. 2147-2160
A numerical integration scheme, designed for the gas-phase chemistry m
odule in a 3D regional tropospheric chemistry model, is presented. Spe
cies in the chemical system are partitioned into ''slow'' and ''fast''
species, according to their lifetime under typical atmospheric condit
ions. A Newton-Raphson iterative scheme (implicit) is used for the fas
t species, while an explicit scheme is used for the slow ones. The hyb
rid implicit/explicit approach is tested against the Gear integration
scheme for several rural and urban conditions (with and without emissi
on/deposition). Comparisons with an exponential approximation scheme a
re also presented. The present integration scheme is shown to be accur
ate and efficient. With a 30 min integration step, the implicit/explic
it scheme is at least 10-times faster than the Gear integration (with
an equivalent integration step).