A Search for Alternative Solid Rocket Propellant Oxidizers

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Abstract/Contents

Abstract
Carbon-based caged and heterocyclic compounds tend to have strained molecular structures leading to high heats of formation and energetic behavior. In the current paper, molecular modelling calculations for 10 caged compounds of this type along with 2 strained aliphatic compounds and 4 simple cyclic chains are presented in view of their possible use as oxidizers in propulsion applications. Density functional theory (B3LYP) was employed for the geometry optimization of the proposed molecular structure using the 6-311++G(d,p) basis set. Heats of formation of the compounds were calculated using the molecular modeling results and their specific impulses were computed using the NASA CEA software package to evaluate their potentials as propellant oxidizers

Description

Type of resource text
Date created July 1, 2019 - July 5, 2019
Date modified December 5, 2022
Publication date February 1, 2022

Creators/Contributors

Author Biswas, Pujan ORCiD icon https://orcid.org/0000-0002-0780-3610 (unverified)
Author Ahirwar, Parmanand
Author Nandagopal, S
Author Kumar, Arvind
Author Namboothiri, Irishi
Author Chowdhury, Arindrajit
Author Kumbhakarna, Neeraj

Subjects

Subject Propulsion, Propellants, Molecular Modelling
Genre Text
Genre Article
Genre Conference session

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This work is licensed under a Creative Commons Attribution Non Commercial No Derivatives 4.0 International license (CC BY-NC-ND).

Preferred citation

Preferred citation
Biswas, P., Ahirwar, P., Nandagopal, S., Kumar, A., Namboothiri, I., Chowdhury, A., and Kumbhakarna, N., A Search for Alternative Solid Rocket Propellant Oxidizers. 12th Asia-Pacific Conference on Combustion, Fukuoka International Congress Center, Fukuoka, Japan, 1st -5th July 2019.

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Stanford University Open Access Articles

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