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.