An Arrhenius-Wescott-Stewart-Davis (AWSD) reactive flow model of nitromethane

A thermodynamically complete equation of state (EOS) and reactive flow model of nitromethane is developed. Empirical Davis reactant and products EOSs are based on experimental data as well as higher-fidelity models from molecular dynamics simulations and thermochemical codes. Although the Arrhenius-...

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Main Authors: Aslam, Tariq D., Dattelbaum, Dana M., Leiding, Jeffery A., Cawkwell, Marc J., Ticknor, Christopher, Sheffield, Stephen A., Gibson, Lloyd L.
Format: Conference Proceeding
Language:English
Subjects:
Detonation
Equations of state
Molecular dynamics
Nitromethane
Parameter sensitivity
PBX (explosives)
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Dattelbaum, Dana M.
Leiding, Jeffery A.
Cawkwell, Marc J.
Ticknor, Christopher
Sheffield, Stephen A.
Gibson, Lloyd L.
description A thermodynamically complete equation of state (EOS) and reactive flow model of nitromethane is developed. Empirical Davis reactant and products EOSs are based on experimental data as well as higher-fidelity models from molecular dynamics simulations and thermochemical codes. Although the Arrhenius-Wescott-Stewart-Davis (AWSD) reactive flow model was originally devised for heterogeneous plastic bonded explosives, it can capture the salient features of homogeneous shock initiation, including superdetonation prior to turnover, observed experimentally in shock-to-detonation transition experiments. This is due to the model rate form having Arrhenius sensitivity to local temperature with a suitable choice of parameters. A complete set of AWSD rate parameters are calibrated to embedded electromagnetic gauge experiments. The resulting shock-to-detonation characteristics, caveats about utilizing one-dimensional simulations are presented and effects of embedded gauges are discussed.
doi_str_mv 10.1063/12.0028749
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source American Institute of Physics:Jisc Collections:Transitional Journals Agreement 2021-23 (Reading list)
subjects Detonation
Equations of state
Molecular dynamics
Nitromethane
Parameter sensitivity
PBX (explosives)
title An Arrhenius-Wescott-Stewart-Davis (AWSD) reactive flow model of nitromethane
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