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Title: XCHEM-1D: A Heat Transfer/Chemical Kinetics Computer Program for multilayered reactive materials

Abstract

An eXplosive CHEMical kinetics code, XCHEM, has been developed to solve the reactive diffusion equations associated with thermal ignition of energetic materials. This method-of-lines code uses stiff numerical methods and adaptive meshing to resolve relevant combustion physics. Solution accuracy is maintained between multilayered materials consisting of blends of reactive components and/or inert materials. Phase change and variable properties are included in one-dimensional slab, cylindrical and spherical geometries. Temperature-dependent thermal properties have been incorporated and the modification of thermal conductivities to include decomposition effects are estimated using solid/gas volume fractions determined by species fractions. Gas transport properties, including high pressure corrections, have also been included. Time varying temperature, heat flux, convective and thermal radiation boundary conditions, and layer to layer contact resistances have also been implemented.

Authors:
; ;
Publication Date:
Research Org.:
Sandia National Labs., Albuquerque, NM (United States)
Sponsoring Org.:
USDOE, Washington, DC (United States)
OSTI Identifier:
10115483
Report Number(s):
SAND-93-1603
ON: DE94005072; BR: GB0103012
DOE Contract Number:
AC04-94AL85000
Resource Type:
Technical Report
Resource Relation:
Other Information: PBD: Oct 1993
Country of Publication:
United States
Language:
English
Subject:
45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEFENSE; 99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; CHEMICAL EXPLOSIONS; X CODES; HEAT TRANSFER; CHEMICAL REACTION KINETICS; MESH GENERATION; COMPUTER CALCULATIONS; MATHEMATICAL MODELS; CHEMICAL EXPLOSIVES; PROPELLANTS; 450100; 990200; CHEMICAL EXPLOSIONS AND EXPLOSIVES; MATHEMATICS AND COMPUTERS

Citation Formats

Gross, R.J., Baer, M.R., and Hobbs, M.L. XCHEM-1D: A Heat Transfer/Chemical Kinetics Computer Program for multilayered reactive materials. United States: N. p., 1993. Web. doi:10.2172/10115483.
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Gross, R.J., Baer, M.R., & Hobbs, M.L. XCHEM-1D: A Heat Transfer/Chemical Kinetics Computer Program for multilayered reactive materials. United States. doi:10.2172/10115483.
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Gross, R.J., Baer, M.R., and Hobbs, M.L. Fri . "XCHEM-1D: A Heat Transfer/Chemical Kinetics Computer Program for multilayered reactive materials". United States. doi:10.2172/10115483. https://www.osti.gov/servlets/purl/10115483.
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@article{osti_10115483,
title = {XCHEM-1D: A Heat Transfer/Chemical Kinetics Computer Program for multilayered reactive materials},
author = {Gross, R.J. and Baer, M.R. and Hobbs, M.L.},
abstractNote = {An eXplosive CHEMical kinetics code, XCHEM, has been developed to solve the reactive diffusion equations associated with thermal ignition of energetic materials. This method-of-lines code uses stiff numerical methods and adaptive meshing to resolve relevant combustion physics. Solution accuracy is maintained between multilayered materials consisting of blends of reactive components and/or inert materials. Phase change and variable properties are included in one-dimensional slab, cylindrical and spherical geometries. Temperature-dependent thermal properties have been incorporated and the modification of thermal conductivities to include decomposition effects are estimated using solid/gas volume fractions determined by species fractions. Gas transport properties, including high pressure corrections, have also been included. Time varying temperature, heat flux, convective and thermal radiation boundary conditions, and layer to layer contact resistances have also been implemented.},
doi = {10.2172/10115483},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Oct 01 00:00:00 EDT 1993},
month = {Fri Oct 01 00:00:00 EDT 1993}
}
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Technical Report:
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DOI:  10.2172/10115483
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