Example Theoretical Evaluation of New Solid Rocket Propellants

4 Example Theoretical Evaluation of New Solid Rocket Propellants 

Solid propellants of essentially all solid rocket boosters are based on a mixture of aluminum (Al, fuel) and ammonium perchlorate (AP, oxidizer). 

Ammonium perchlorate (AP) has apphcations in munitions, primarily as an oxidizer for solid rocket and missile propellants. It is also used as an air-bag inflator in the automotive industry, in fireworks, and is a contaminant in agricultural fertilizers. Because of these uses and ammonium perchlorate s high solubility, chemical stability, and persistence, it has become distributed widely in surface and ground water systems. There is little information about the effects of perchlorate in these systems or on the aquatic life that inhabits them. However, it is known that perchlorate is an endocrine disrupting chemical that interferes with normal thyroid function and that thyroid dysfunction impacts both growth and development in vertebrates. Because perchlorate competes for iodine binding sites in the thyroid, the addition of iodine to culture water has been examined in order to determine if 

The objectives of the ongoing work is to explore the chemical synthesis of possible replacements for AP as an oxidizer in tactical missile rocket motors. The synthesis, sensitivities, thermal stability, binder compatibility and decomposition pathways of these new high-oxygen materials are currently being researched. In the following example, we theoretically want to evaluate, the suitability of nitrosyl (NO ) and nitronium (NOJ) oxalate as a potential ingredient for solid rocket propellants. 

The molecular structures of neutral (0N)02C—C02(N0) and (02N)02C— C02(N02) were fully optimized without symmetry constraints in both cases to Q symmetry (Fig. 4.5). 

---