This thesis outlines the bottom-up development of a high pressure, high density initiation mechanism for nitromethane decomposition. Using reactive molecular dynamics (ReaxFF), a hydrogen-abstraction initiation mechanism for nitromethane decomposition that occurs at initial supercritical densities of 0.83 grams per cubic centimeter was investigated and a mechanism was constructed as an addendum for existing mechanisms. The reactions in this mechanism were examined and the pathways leading from the new initiation set into existing mechanism are discussed, with ab-initio/DFT level data to support them, as well as a survey of other combustion mechanisms containing analogous reactions. C2 carbon chemistry and soot formation pathways were also included to develop a complete high-pressure mechanism to compare to the experimental results of Derk. C2 chemistry, soot chemistry, and the hydrogen-abstraction initiation mechanism were appended to the baseline mechanism used by Boyer and analyzed in Chemkin as a temporal, ideal gas decomposition. The analysis of these results includes a comprehensive discussion of the observed chemistry and the implications thereof.

Shock tube experiments and extensive numerical simulations were used to provide information required to construct a detailed chemical mechanism for the decomposition of gaseous nitromethane diluted in argon. Measurements were made of the time evolution of the pressure and the NO adsorption at a fixed location in the shock tube, and mass and infrared spectroscopy were used to identify the products. Experiments were performed in the pressure range 0.3 to 2.5 atms and temperature range 700 to 2000 K using mixtures of 10 to 100 percent nitromethane in argon. A mechanism composed of elementary reactions describing nitro-methane decomposition in the range of the experiments was compiled, tested and reduced to a set of 62 most significant reactions.

Superseding Gardiner's "Combustion Chemistry", this is an updated, comprehensive coverage of those aspects of combustion chemistry relevant to gas-phase combustion of hydrocarbons. The book includes an extended discussion of air pollutant chemistry and aspects of combustion, and reviews elementary reactions of nitrogen, sulfur and chlorine compounds that are relevant to combustion. Methods of combustion modeling and rate coefficient estimation are presented, as well as access to databases for combustion thermochemistry and modeling.

This edited book contains state-of-the-art information associated with energetic material combustion. There are twelve topical areas, including: Reaction Kinetics of Energetic Materials (Solid, Liquid, and Gel Propellants); Recycling of Energetic Materials; Combustion Performance of Hybrid and Solid Rocket Motors; Ignition and Combustion of Energetic Materials; Energetic Material Defects and Rocket Engine Flowfields; Metal Combustion; Pyrolysis and Combustion Processes of New Ingredients and Applications; Theoretical Modeling and Numerical Simulation of Combustion Processes of Energetic Materials; Combustion Diagnostic Techniques; Propellant and Rocket Motor Stability; Commercial Applications of Energetic Materials (Airbags, Gas Generators, etc.); and Thermal Insulation and Ablation Processes.

Structures, Bonding and Hydrogen Bonds, by Kun Dong, Qian Wang, Xingmei Lu, Suojiang Zhang Aggregation in System of Ionic Liquids, by Jianji Wang, Huiyong Wang Dissolution of Biomass Using Ionic Liquids, by Hui Wang, Gabriela Gurau, Robin D. Rogers Effect of the Structures of Ionic Liquids on Their Physical-Chemical Properties, by Yu-Feng Hu, Xiao-Ming Peng Microstructure study of Ionic liquids by spectroscopy, by Haoran Li Structures and Thermodynamic Properties of Ionic Liquids, by Tiancheng Mu, Buxing Han