S. Elliott et al., TESTS ON COMBINED PROJECTION FORWARD DIFFERENCING INTEGRATION FOR STIFF PHOTOCHEMICAL FAMILY SYSTEMS AT LONG-TIME STEP, Computers & chemistry, 17(1), 1993, pp. 91-102
Accurate estimates of final tracer concentrations guide adjustment of
individual species levels so that forward integration of stiff familie
s can proceed at time steps an order of magnitude larger than inherent
loss constants. Maintenance of a unified concentration vector in the
solver ensures mass conservation. The sequence was perfected by raisin
g the step size upward from 100 s in a standard 25 family 45 species s
tratospheric box model with explicit Euler numerics. Projections were
inserted as instabilities arose. Ultimately, a uniform DELTAt of 1 h w
as achieved from 20-50 km at mid-latitudes. Results were compared over
five equinoctial diurnal cycles with runs at 0.1 and 1 s steps in whi
ch every constituent other than the individual atoms, CHO and CH3O, wa
s handled separately. Agreement was better than 10(-2) for the major r
eservoirs in almost all cases, and was equally close for radicals betw
een 6 a.m. and 6 p.m., provided that photolysis constants were time av
eraged. The few exceptions were due to experimentation with a lineariz
ed implicit concentration predictor, or to the approximations underlyi
ng family partitioning recipes. CPU timings extrapolated to a hypothet
ical GCM grid suggest that 3-D modeling will be possible at the level
of chemical resolution in the programs.