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Improvements of the CARTE thermochemical code dedicated to the computation of properties of explosives.

Abstract
In the field of detonation science or shock physics, predicting the thermo- dynamic properties and chemical compositions of detonation products of CHON systems (outcome of the decomposition of explosives) over a wide range of temperature and pressure with a very small computational cost is of great importance. Thermochemical codes such as the CARTE code use several methods published in the literature to compute the properties of these CHON systems. In this work, we evaluate the accuracy of the recently improved KLRR perturbation method and we propose a new mixing rule to reduce the fluid mixture to an effective pure fluid. Then, the results obtained with these two contributions are presented.
AuthorsN Desbiens, V Dubois, C Matignon, R Sorin
JournalThe journal of physical chemistry. B (J Phys Chem B) Vol. 115 Issue 44 Pg. 12868-74 (Nov 10 2011) ISSN: 1520-5207 [Electronic] United States
PMID21936498 (Publication Type: Journal Article)

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