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Title: AURORA: A FORTRAN program for modeling well stirred plasma and thermal reactors with gas and surface reactions

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 lossesmore » for electrons.« less

Authors:
; ;  [1];  [2]
  1. Sandia National Labs., Livermore, CA (United States). Thermal and Plasma Processes Dept.
  2. Sandia National Labs., Albuquerque, NM (United States). Surface Processing Sciences Dept.
Publication Date:
Research Org.:
Sandia National Labs., Livermore, CA (United States)
Sponsoring Org.:
USDOE, Washington, DC (United States)
OSTI Identifier:
206570
Report Number(s):
SAND-96-8218
ON: DE96006554; TRN: AHC29607%%89
DOE Contract Number:  
AC04-94AL85000
Resource Type:
Technical Report
Resource Relation:
Other Information: DN: Report is unlimited; software package is copyrighted; PBD: Feb 1996
Country of Publication:
United States
Language:
English
Subject:
99 MATHEMATICS, COMPUTERS, INFORMATION SCIENCE, MANAGEMENT, LAW, MISCELLANEOUS; 36 MATERIALS SCIENCE; 40 CHEMISTRY; CHEMICAL REACTORS; A CODES; MATERIALS; CHEMICAL VAPOR DEPOSITION; ETCHING; NONLINEAR PROBLEMS; NUMERICAL SOLUTION; USES; COMPUTER PROGRAM DOCUMENTATION

Citation Formats

Meeks, E., Grcar, J.F., Kee, R.J., and Moffat, H.K. AURORA: A FORTRAN program for modeling well stirred plasma and thermal reactors with gas and surface reactions. United States: N. p., 1996. Web. doi:10.2172/206570.
Meeks, E., Grcar, J.F., Kee, R.J., & Moffat, H.K. AURORA: A FORTRAN program for modeling well stirred plasma and thermal reactors with gas and surface reactions. United States. doi:10.2172/206570.
Meeks, E., Grcar, J.F., Kee, R.J., and Moffat, H.K. Thu . "AURORA: A FORTRAN program for modeling well stirred plasma and thermal reactors with gas and surface reactions". United States. doi:10.2172/206570. https://www.osti.gov/servlets/purl/206570.
@article{osti_206570,
title = {AURORA: A FORTRAN program for modeling well stirred plasma and thermal reactors with gas and surface reactions},
author = {Meeks, E. and Grcar, J.F. and Kee, R.J. and Moffat, H.K.},
abstractNote = {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.},
doi = {10.2172/206570},
journal = {},
number = ,
volume = ,
place = {United States},
year = {1996},
month = {2}
}