WIT Press

Gas-phase Chemistry Numerics: A Review Of Several Methods

Price

Free (open access)

Paper DOI

10.2495/AIR940321

Volume

3

Pages

8

Published

1994

Size

838 kb

Author(s)

P.A. Makar, J.C. McConnell & G.P. Klaassen

Abstract

Several numerical methods for performing gas-phase chemistry simulations are reviewed. Each method was used to simulate six days of diurnal variations in a simplified tropospheric reaction system. The average errors and CPU-times of each method (compared to a standard, high order code) are presented. For large numbers of chemical simulations, a combination of a one-step Newton's iteration and a higher order backward difference was found to provide the best compromise between CPU-time and accuracy. A detailed comparison between this combined method and a high order backward difference showed that the accuracy of the method can vary between different species. Techniques that can be used

Keywords