Comparing Numerical Methods for the Solution of Stiff Systems of ODEs Arising in Chemistry

摘要: In chemical applications, one often encounters systems of ordinary differential equations which, although mathematically well-conditioned, are virtually impossible to solve with traditional numerical methods because the severe stepsize constraint imposed by stability. These stiff can be characterized presence transient components, negligible relative other components solution, constrain order smallest time constant problem. The chapter describes comparisons that have been performed at Toronto, and it outlines a new testing program, which is then used assess performance in solution some arising chemistry. It presents results those tests few specific recommendations. Of five types tested, only two based on backward differentiation formulas (DIFSUB, GEAR.REV3 EPISODE) second derivative multistep (SDBASIC), suitable as general purpose for arise