Solution of Complex Chemically Reacting Flows on MP Machines
J. N. Shadid, H. K. Moffat, A. G. Salinger,
K. D. Devine, S. A. Hutchinson, G. L. Hennigan
Sandia National Laboratories
Albuquerque, New Mexico 87185
Abstract
An understanding of the nonlinear interactions of momentum, heat, and
mass transfer along with nonequilibrium chemical reactions is central
to the design and optimization of chemical reactors and materials
processing systems. Large changes in a system's response to a small
change in operating conditions, problems with process scale-up, and
unsteady dynamic behavior can all result form nonlinearity. An
understanding of these interactions can be used to obtain stable
operating parameters, improvements in design, and more reliable
control systems.
Computational simulations can be used to obtain information about such
systems. However these simulations require significant resources that
are now only available on massively parallel (MP) computers. In this
talk we will describe a new MP unstructured finite element reacting
flow code, SALSA, which has been developed to simulate laminar
variable-density reacting flow problems. This code is based on fully
implicit time integration, an inexact Newton method with backtracking
and advanced preconditioned Krylov solvers. This talk will provide a
brief overview of important solution strategies along with preliminary
results on the simulation of chemical vapor deposition (CVD) reactors
for production of Silicon Carbide (SiC) and Gallium Arsenide (GaAs).