Efficient implementation of fully implicit methods for atmospheric chemical kinetics (Q2564463)

For solving a system of stiff ordinary differential equations numerically, implicit integrators with infinite stability regions are likely to work with relatively large step sizes when the accuracy requirements are not too stringent. A systematic way of exploiting sparsity when integrating atmospheric chemistry equations is developed. The authors discuss and evaluate reordering techniques that lead to minimal fill-in during LU decomposition. They then test various linear system solvers, in particular showing that the chosen routine is twice as fast as the one used by \textit{J. Verwer}, \textit{J. G. Blom}, \textit{M. van Loon}, and \textit{E. J. Spee} [Atmos. Environ. 30, 49 (1996)]. These ideas are tested on two comprehensive chemical mechanisms used to study stratospheric and tropospheric chemistry.