A Skeletal, Gas-Phase, Finite-Rate, Chemical Kinetics Mechanism for Modeling the Deflagration of Ammonium Perchlorate�¢����Hydroxyl-Terminated Polybutadiene Composite Propellants

Report No. ARL-TR-7655
Authors: Chiung-Chu Chen, Michael McQuaid
Date/Pages: April 2016; 76 pages
Abstract: A (full) detailed, gas-phase, finite-rate chemical kinetics mechanism for representing the combustion-chemistry-associated ammonium perchlorate–hydroxyl-terminated polybutadiene (AP-HTPB) composite propellant deflagration was reduced to skeletal sets via the trial mechanism method. The full mechanism had 2,627 elementary reaction steps and involved 637 species. The primary objective of the effort was to produce a mechanism with 100 or fewer reactions and involving 100 or fewer species that could be employed as a submodel in computational fluid dynamics frameworks. Results produced by trial mechanism–homogeneous reactor (HR) model combinations were the basis for eliminating reactions. The choice of HR simulations to employ as the basis for mechanism reduction and candidate selection is discussed. Postreduction analyses were conducted to identify candidates with the best ability to mimic the full mechanism in AP-HTPB deflagration simulations at pressures from 300 to 20,000 psia. The candidate considered to offer the best compromise between size and mimicking ability for this purpose had 100 reactions and involved 81 species. The data comprising it are provided. Burning-rate estimates obtained with the mechanism provide additional evidence of its validity for AP-HTPB deflagration modeling.
Distribution: Approved for public release
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Last Update / Reviewed: April 1, 2016