MPSalsa
A FINITE ELEMENT COMPUTER PROGRAM FOR REACTING FLOW PROBLEMS
PART 1 - THEORETICAL DEVELOPMENT
John N. Shadid, Harry K. Moffat, Scott A. Hutchinson,
Gary L. Hennigan, Karen D. Devine, Andrew G. Salinger
Sandia National Laboratories
Albuquerque, New Mexico 87185
Abstract
The theoretical background for the finite element computer program,
MPSalsa, is presented in detail. MPSalsa is designed to solve laminar,
low Mach number, two- or three-dimensional incompressible and variable
density reacting fluid flows on massively parallel computers, using a
Petrov-Galerkin finite element formulation. The code has the
capability to solve coupled fluid flow, heat transport, multicomponent
species transport, and finite-rate chemical reactions, and to solve
coupled multiple Poisson or advection-diffusion-reaction
equations. The program employs the CHEMKIN library to provide a
rigorous treatment of multicomponent ideal gas kinetics and
transport. Chemical reactions occurring in the gas phase and on
surfaces are treated by calls to CHEMKIN and SURFACE CHEMKIN,
respectively. The code employs unstructured meshes, using the EXODUS
II finite element database suite of programs for its input and output
files. MPSalsa solves both transient and steady flows by using fully
implicit time integration, an inexact Newton method and iterative
solvers based on preconditioned Krylov methods as implemented in the
Aztec solver library.