The synthesis and experimental testing of energetic materials can be hazardous, but their many industrial military applications necessitate constant research development. We evaluate computational methods for predicting the crystal structures molecular organic crystals from structure as a first step in computationally evaluating materials, which could guide work. Crystal prediction (CSP) is eva...

A numerical approach to simulate the evolution of combustion surface an energetic composite materials is described. Cubic spline interpolation used describe dynamically changing shape surface. The statement problem for parametric description geometry and choosing method parameterizing control points are given. direct step-bystep calculate front. normal velocity variable determined from solution...

Abstract. Detonations represent high-speed chemical reactions characterized by rapid propagation, accompanied a release of high-pressure energy. This transformative process converts unreacted explosive materials into stable product molecules, reaching steady state known as the Chapman-Jouguet (CJ) state. study aims to effectively describe detonation phenomenon in energetic through application C...

Title of Document: ENERGETIC BIOCIDAL MATERIALS AND SPORE NEUTRALIZATION Wenbo Zhou, Doctor of Philosophy, 2015 Directed By: Professor Michael R. Zachariah, Department of Chemical and Biomolecular Engineering and Department of Chemistry and Biochemistry The objective of this dissertation is to explore a more accurate and versatile approach to investigating the neutralization of spores suffered ...