TNT Synthesis Byproducts in Solid Propellants

Abstract

Copyright ©2025 by the International Astronautical Federation (IAF). All rights reserved.The synthesis of trinitrotoluene (TNT) produces various byproducts and co-products, often regarded as waste that poses significant environmental and disposal challenges. This study explores the feasibility of repurposing these TNT synthesis co-products, such as nitrated aromatic compounds and nitro derivatives, as partial substitutes for conventional oxidants like ammonium Perchlorate or ammonium nitrate in solid propellant formulations. The research seeks to diminish dependence on traditional oxidants, enhance waste management practices, and foster sustainability in energy material production. The co-products were analyzed for their chemical composition, thermal stability, and energy characteristics, subsequently integrated into propellant mixtures at different concentrations to replace a portion of the primary oxidant. The performance of these modified propellants was assessed through theoretical modeling and experimental evaluations, including RMD simulations conducted across 1000 K to 3000 K. Results reveal that TNT co-products effectively contribute to the oxidizer balance, with the triple-base plus TNT system demonstrating enhanced combustion properties compared to the triple-base alone. Notably, the addition of TNT byproducts increased total energy release by up to ~100000 kcal/mol at 3000 K and sustained higher species counts of intermediates like N02 and CHO, reflecting improved reactivity. The apparent activation energy rose from 198.2 kcal/mol for the triple-base system to 246.4 kcal/mol with TNT byproducts, indicating a higher energy barrier but also greater exothermic potential. Experimentally, incorporating 10% of a nitroaromatic co-product boosted the burning rate by 8% (from 12 mm/s to 13 mm/s) and improved specific impulse to 250 s from 245 s in the standard formulation. Additionally, this approach reduced environmental disposal risks by 15% and offered a potential cost reduction in propellant production of up to 12%. Nevertheless, the study emphasizes the importance of optimizing co-product levels to preserve mechanical and ballistic properties while mitigating risks of sensitivity and instability, as suggested by the increased nitrogen oxide production observed in the simulations.

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