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Title: An Equilibrium-Based Model of Gas Reaction and Detonation

Abstract

During gaseous diffusion plant operations, conditions leading to the formation of flammable gas mixtures may occasionally arise. Currently, these could consist of the evaporative coolant CFC-114 and fluorinating agents such as F2 and ClF3. Replacement of CFC-114 with a non-ozone-depleting substitute is planned. Consequently, in the future, the substitute coolant must also be considered as a potential fuel in flammable gas mixtures. Two questions of practical interest arise: (1) can a particular mixture sustain and propagate a flame if ignited, and (2) what is the maximum pressure that can be generated by the burning (and possibly exploding) gas mixture, should it ignite? Experimental data on these systems, particularly for the newer coolant candidates, are limited. To assist in answering these questions, a mathematical model was developed to serve as a tool for predicting the potential detonation pressures and for estimating the composition limits of flammability for these systems based on empirical correlations between gas mixture thermodynamics and flammability for known systems. The present model uses the thermodynamic equilibrium to determine the reaction endpoint of a reactive gas mixture and uses detonation theory to estimate an upper bound to the pressure that could be generated upon ignition. The model described andmore » documented in this report is an extended version of related models developed in 1992 and 1999.« less

Authors:
Publication Date:
Research Org.:
Oak Ridge National Lab., TN (US)
Sponsoring Org.:
USDOE Office of Science (US)
OSTI Identifier:
763241
Report Number(s):
ORNL/TM-2000/123
TRN: US0004671
DOE Contract Number:
AC05-00OR22725
Resource Type:
Technical Report
Resource Relation:
Other Information: PBD: 1 Apr 2000
Country of Publication:
United States
Language:
English
Subject:
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS; 32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION; COOLANTS; FLAMMABILITY; GASEOUS DIFFUSION PLANTS; MATHEMATICAL MODELS; MIXTURES; THERMODYNAMICS; DETONATION LIMITS; REFRIGERANTS; MATERIAL SUBSTITUTION

Citation Formats

Trowbridge, L.D. An Equilibrium-Based Model of Gas Reaction and Detonation. United States: N. p., 2000. Web. doi:10.2172/763241.
Trowbridge, L.D. An Equilibrium-Based Model of Gas Reaction and Detonation. United States. doi:10.2172/763241.
Trowbridge, L.D. Sat . "An Equilibrium-Based Model of Gas Reaction and Detonation". United States. doi:10.2172/763241. https://www.osti.gov/servlets/purl/763241.
@article{osti_763241,
title = {An Equilibrium-Based Model of Gas Reaction and Detonation},
author = {Trowbridge, L.D.},
abstractNote = {During gaseous diffusion plant operations, conditions leading to the formation of flammable gas mixtures may occasionally arise. Currently, these could consist of the evaporative coolant CFC-114 and fluorinating agents such as F2 and ClF3. Replacement of CFC-114 with a non-ozone-depleting substitute is planned. Consequently, in the future, the substitute coolant must also be considered as a potential fuel in flammable gas mixtures. Two questions of practical interest arise: (1) can a particular mixture sustain and propagate a flame if ignited, and (2) what is the maximum pressure that can be generated by the burning (and possibly exploding) gas mixture, should it ignite? Experimental data on these systems, particularly for the newer coolant candidates, are limited. To assist in answering these questions, a mathematical model was developed to serve as a tool for predicting the potential detonation pressures and for estimating the composition limits of flammability for these systems based on empirical correlations between gas mixture thermodynamics and flammability for known systems. The present model uses the thermodynamic equilibrium to determine the reaction endpoint of a reactive gas mixture and uses detonation theory to estimate an upper bound to the pressure that could be generated upon ignition. The model described and documented in this report is an extended version of related models developed in 1992 and 1999.},
doi = {10.2172/763241},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Apr 01 00:00:00 EST 2000},
month = {Sat Apr 01 00:00:00 EST 2000}
}

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