Chemical Equilibrium Analysis of Combustion Products at Constant Volume


  1. Wong, F.C.H.
  2. Gottlieb, J.J.
  3. Lussier, L-S.
Corporate Authors
Defence R&D Canada - Valcartier, Valcartier QUE (CAN);Toronto Univ, Toronto ONT (CAN) Inst for Aerospace Studies
A computational code is developed to determine the high temperature and high pressure combustion products of energetic materials inside a closed, constant volume, adiabatic vessel, assuming chemical equilibrium among the product species occurs. The product mixture is modelled as a mixture of gases with pure condensates dispersed uniformly. To solve this problem, the Villars Cruise Smith (VCS) minimization algorithm is allied, which is based on a stoichiometric formulation using chemical equations and optimized to essentially avoid inverting matrices during iterations. Procedures are also implemented for treating trace gaseous species and the special situation of phase transitions of condensed substances. The resulting extended Villars Cruise Smith (EVCS) code is flexible, robust and easy to use. Different models and complicated equations of state can be used for describing the mixture of gases and the products, and systems with several hundred species can be handled. The solution algorithm and procedures of the E-VCS code are compared with those of three previous major codes capable of performing similar analyses: the Bagheera, Blake and NASA codes, by using a range of test problems. While all the three previous major codes experience difficulties in solving test problems involving condensed products, especially with low gas formation and with phase transitions, the E-VCS code solves all of them straightforwardly.

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Gun propellant;Gun powder;Gun propellant performance;Gun powder performance;Thermodynamics of gun propellants;Thermodynamics of gun powders;Thermodynamic code;Villar Cruise Smith minimization algorithm;Extended Villar Cruise Smith algorithm;E-VCS code;High temperature combustion products;High pressure combustion products;Chemicl equilibrium;Chemical potentials;Chemical stoichiometry;Equation of state;Condensed species;Energetic materials
Report Number
DRDC-VALCARTIER-TR-2003-375 — Technical Report
Date of publication
22 Dec 2003
Number of Pages
Hardcopy;CD ROM;Document Image stored on Optical Disk

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