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UC-405
SAND96-8218
Unlimited Release
Printed February 1996
AURORA: A FORTRAN PROGRAM FOR MODELING WELL STIRRED PLASMA AND
THERMAL REACTORS WITH GAS AND SURFACE REACTIONS
Ellen Meeks, Joseph F. Grcar, and Robert
J. Kee
Thermal and Plasma Processes Department
Sandia National Laboratories
Livermore, CA 94551-0939
Harry K. Moffat
Surface Processing Sciences Department
Sandia National Laboratories
Albuquerque, NM 87185
ABSTRACT
The Aurora Software is a FORTRAN computer program that predicts the steady-state
or time-averaged properties of a well mixed or perfectly stirred reactor for
plasma or thermal chemistry systems. The software was based on the previously
released software, Surface PSR, which was written for application to thermal
CVD reactor systems. Aurora allows modeling of non-thermal, plasma reactors
with the determination of ion and electron concentrations and the electron
temperature,
in addition to the neutral radical species concentrations. Well stirred reactors
are characterized by a reactor volume, residence time or mass flow rate, heat
loss or gas temperature, surface area, surface temperature, the incoming temperature
and mixture composition, as well as the power deposited into the plasma for
non-thermal systems. The model described here accounts for finite-rate elementary
chemical
reactions both in the gas phase and on the surface. The governing equations
are a system of nonlinear algebraic relations. The program solves these equations
using a hybrid Newton/time-integration method embodied by the software package
Twopnt. The program runs in conjunction with the new Chemkin-III and Surface
Chemkin-III packages, which handle the chemical reaction mechanisms for thermal
and non-thermal systems. Chemkin-III allows for specification of electron-impact
reactions, excitation losses, and elastic-collision losses for electrons.
ACKNOWLEDGMENTS
The development of the Aurora code has been supported in part by a cooperative
research agreement between the U. S. Department of Energy and SEMATECH, contract
number DE-F104-89AL58872.
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