## COMP 251 |

Adomian polynomials are used to approximate the integrated chemical rate equations. The solution to the coupled integro-differential equations and numerical methods developed by the authors outperform high-order Runge-Kutta routines in the arenas of computational time and discretization error. The speedup is highly signiﬁcant to kinetic inversion problems where hundreds of numerical integrands are needed. An order of magnitude decrease in computational time is observed. The inclusion of up to fourth-term polynomials in the solution gives a truncation error of order O(h^{8} ). This extremely low-order error yields solutions that are step-size independent. The problem of rapid polynomial divergence is addressed through discretizing the time axis. |

Poster Session
6:00 PM-8:00 PM, Tuesday, August 18, 2009 Walter E. Washington Convention Center -- Ballroom A, Poster
Division of Computers in Chemistry |