Download or read book Chemical Kinetic Investigation of the Thermal Decomposition of Energetic Materials written by Tanusree Chatterjee and published by . This book was released on 2021 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Energetic materials such as propellants which are burned to produce thrust in applications like guns, rockets/space propulsion systems, automobile air bags and ejection seats of airplanes, play a critical role in meeting the performance and safety requirements by generating high pressure within a short duration of time. Propellants used in practical applications, generally consists of two or more energetic ingredients. To ensure that the above-mentioned devices are well designed, it is critical to understand the thermal decomposition (or combustion) behavior of energetic ingredients that comprise the propellants. It is also of paramount importance to understand the chemistry involved during decomposition of these energetic ingredients which will enable a knowledge-based improvement and engineering of propellants. In this dissertation using synergistic application of experimental and computational methods, three different energetic materials are studied: Ammonia borane (AB); Ammonium perchlorate (AP) and HMX-TAGzT. Ammonia borane (AB) is a hypergolic rocket fuel used in liquid propellants and a potential hydrogen storage medium. Although several studies have been undertaken over the years to understand the chemical kinetics involved during AB decomposition, it is still not well understood. The reaction pathways developed so far are primarily based on the experimental observations of a limited set of chemical species and there exists no consensus. In this work, a detailed AB reaction mechanism was developed using thermolysis experiments and quantum mechanics (QM) calculations to explain the formation of species observed during experiments, reconciling the existing conflicts regarding the initiation step, as well as the pathways of H2 formation during decomposition. The developed reaction mechanism not only explains the experimental observations, but also provides information which are difficult to obtain only by performing experiments. Ammonium perchlorate (AP) is one of the most common oxidizers used in solid composite propellant. Owing to high-pressure deflagration limit (PDL) and very fine structure of AP flame, minimal amount of experimental data is available till today. Hence, numerical simulations play critical role in order to understand the combustion phenomenon of AP monopropellants. Although existing combustion models use detailed reaction mechanism for gas phase, chemical kinetics involved in AP melt layer or condensed phase is still modeled using global/semi-global reactions which is one of the major stumbling blocks in modeling AP combustion. In this work, a liquid phase reaction mechanism for perchloric acid (HClO4) decomposition is proposed based on QM calculations. HClO4 which is one of the primary sublimation products of AP is experimentally observed during the ignition and combustion of AP (NH4C1O4)-containing solid propellants in both gas and condensed phase. Hence, this work can be viewed as a first step towards development of detailed liquid-phase reaction mechanism for AP combustion modeling. HMX is a nitramine-based high-explosive fuel which is often used in solid composite propellants to increase energy output and TAgzT is commonly used as burn rate enhancer for nitramine-based propellants. Although significant amount of work has been done to understand the thermal decomposition behavior of HMX and TAGzT as a monopropellant, the interaction of these two energetic materials was not studied previously. In this work, using thermolysis experiments (TGA/DSC coupled with FTIR spectroscopy), thermal decomposition characteristics of HMX-TAGzT mixtures at low and moderate temperatures (373-673 K) using low heating rates (

Download or read book Overviews Of Recent Research On Energetic Materials written by Donald L Thompson and published by World Scientific. This book was released on 2005-08-02 with total page 531 pages. Available in PDF, EPUB and Kindle. Book excerpt: Few books cover experimental and theoretical methods to characterize decomposition, combustion and detonation of energetic materials. This volume, by internationally known and major contributors to the field, is unique because it summarizes the most important recent work, what we know with confidence, and what main areas remain to be investigated. Most chapters comprise summaries of work spanning decades and contain expert commentary available nowhere else. Although energetic materials are its focus, this book provides a guide to modern methods for investigations of condensed and gas-phase reactions. Although these energetic reactions are complex and difficult to study, the work discussed here provides readers with a substantial understanding of the behavior of materials now in use, and a predictive capability for the development of new materials based on target properties.

Download or read book Energetic Materials written by and published by Elsevier. This book was released on 2003-11-21 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume provides an overview of current research and recent advances in the area of energetic materials, focusing on explosives and propellants. The contents and format reflect the fact that theory, experiment and computation are closely linked in this field. The challenge of developing energetic materials that are less sensitive to accidental stimuli continues to be of critical importance. This volume opens with discussions of some determinants of sensitivity and its correlations with various molecular and crystal properties. The next several chapters deal in considerable detail with different aspects and mechanisms of the initiation of detonation, and its quantitative description. The second half of this volume focuses upon combustion. Extensive studies model ignition and combustion, with applications to different propellants. The final chapter is an exhaustive computational treatment of the mechanism and kinetics of combustion initiation reactions of ammonium perchlorate. Overall, this volume illustrates the progress that has been made in the field of energetic materials and some of the areas of current activity. It also indicates the challenges involved in characterizing and understanding the properties and behaviour of these compounds. The work is a unique state-of-the-art treatment of the subject, written by pre-eminent researchers in the field. - Overall emphasis is on theory and computation, presented in the context of relevant experimental work - Presents a unique state-of-the-art treatment of the subject - Contributors are preeminent researchers in the field

Download or read book Energetic Materials written by and published by Elsevier. This book was released on 2003-11-25 with total page 487 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume provides an overview of current research and recent advances in the area of energetic materials, focusing on decomposition, crystal and molecular properties. The contents and format reflect the fact that theory, experiment and computation are closely linked in this field. Since chemical decomposition is of fundamental importance in energetic performance, this volume begins with a survey of the decomposition processes of a variety of energetic compounds. This is followed by detailed studies of certain compounds and specific mechanisms, such as nitro/aci-nitro tautomerism. Chapter 6 covers the transition from decomposition to crystal properties, with molecular dynamics being the primary analytical tool. The next several chapters deal with different aspects of the crystalline state, again moving from the general to particular. There is also a discussion of methods for computing gas, liquid and solid phase heats of formation. Finally, the last portion of this volume looks at the potential of high-nitrogen molecules as energetic systems; this has been of considerable interest in recent years.Overall, this volume illustrates the progress that has been made in the field of energetic materials and some of the areas of current activity. It also indicates the challenges involved in characterizing and understanding the properties and behaviour of these compounds. The work is a unique state-of-the-art treatment of the subject, written by pre-eminent researchers in the field. - Overall emphasis is on theory and computation, presented in the context of relevant experimental work- Presents a unique state-of-the-art treatment of the subject- Contributors are preeminent researchers in the field

Download or read book Chemistry and Physics of Energetic Materials written by S.N. Bulusu and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 756 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book represents a collection of lectures presented at the NATO Advanced study Institute(ASI) on "Chemistry & Physics of the Molecular Processes in Energetic Materials", held at Hotel Torre Normanna, Altavilla Milicia, Sicily, Italy, September 3 to 15, 1989. The institute was attended by seventy participants including twenty lecturers, drawn from thirteen countries. The purpose of the institute was to review the major ad vances made in recent years in the theoretical and experi mental aspects of explosives and propellants. In accordance with the format of the NATO ASI, it was arranged to have a relatively small number of speakers to present in depth, re view type lectures emphasizing the basic research aspects of the subject, over a two week period. Most of the speakers gave two lectures, each in excess of one hour with addition al time for discussions. The scope of the meeting was limit ed to molecular and spectroscopic studies since the hydro dynamic aspects of detonation and various performance crite ria of energetic materials are often covered adequately in other international meetings. An attempt was made to have a coherent presentation of various theoretical, computational and spectroscopic approaches to help a better understanding of energetic materials from a molecular point of view. The progress already made in these areas is such that structure property (e. g.

Download or read book Decomposition Combustion and Detonation Chemistry of Energetic Materials written by Thomas B. Brill and published by . This book was released on 1996 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt: Energetic materials are distinguished from other materials primarily by the fact that rapid, exothermic reactions can be induced with the release of gaseous products. This complex phenomenon cuts across many boundaries of chemistry (synthesis, kinetics, thermodynamics, spectroscopy, quantum and molecular dynamics calculations, etc.) and engineering physics (shock and detonation waves, hydrodynamics, fracture and solid mechanics, defects, etc.). This volume offers the latest chemistry advancements in understanding the complex dynamic processes in these materials in the condensed phase. The focus is on fundamental research into the rates and pathways of rapid exothermic reactions, product specification, diagnostic methods, molecular processes of energy transfer, and molecular processes at extreme pressure and temperature. Many novel materials are discussed.

Download or read book A Kinetics and Mechanism Study of the Thermal Decomposition of Energetic Materials written by Jun Zhang and published by . This book was released on 2000 with total page 387 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Thermal Decomposition and Combustion of Explosives and Propellants written by G.B. Manelis and published by CRC Press. This book was released on 2003-01-30 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique book investigates the synthesis, kinetics, and thermal decomposition properties and processing of energy-producing materials used in propellants, explosives, pyrotechnic, and gas-generating compositions. Thermal Decomposition and Combustion of Explosives and Propellants provides several mechanisms and stages for the thermal decomposition and combustion reactions of most flammable compounds and their mixtures, such asaliphatic and aromatic nitrocompounds, nitramines, nitroesters, organic azides, furazanes, tetrazols, difluoroamines, polynitrous heterocycles, and onium salts. The authors examine the classic problem of the dependence of explosive activity on molecular structure, using applications to predict the stability, compatibility, and the stabilization of explosives and propellant components. They also offer experimental results examining factors such as subsurface decomposition, evaporation, and dispersion of materials, which can be used to control combustion of condensed systems. Providing several approaches to stability, safety, and controlled combustion of flammable substances, Thermal Decomposition and Combustion of Explosives and Propellants is a multi-dimensional resource for graduate students, researchers and professionals interested in chemical kinetics, the combustion and synthesis of high-energy materials, criminal forensics, and the field of explosives, powders, and solid rocket propellants.

Download or read book Static Compression of Energetic Materials written by Suhithi M. Peiris and published by Springer Science & Business Media. This book was released on 2009-01-03 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: Developing and testing novel energetic materials is an expanding branch of the materials sciences. Reaction, detonation or explosion of such materials invariably produce extremely high pressures and temperatures. To study the equations-of-state (EOS) of energetic materials in extreme regimes both shock and static high pressure studies are required. The present volume is an introduction and review of theoretical, experimental and numerical aspects of static compression of such materials. Chapter 1 introduces the basic experimental tool, the diamond anvil pressure cell and the observational techniques used with it such as optical microscopy, infrared spectrometry and x-ray diffraction. Chapter 2 outlines the principles of high-nitrogen energetic materials synthesis. Chapters 3 and 4, examine and compare various EOS formalisms and data fitting for crystalline and non-crystalline materials, respectively. Chapter 5 details the reaction kinetics of detonating energetic materials. Chapter 6 investigates the interplay between static and dynamic (shock) studies. Finally, Chapters 7 and 8 introduce numerical simulations: molecular dynamics of energetic materials under either hydrostatic or uni-axial stress and ab-inito treatments of defects in crystalline materials. This timely volume meets the growing demand for a state-of-the art introduction and review of the most relevant aspects of static compression of energetic materials and will be a valuable reference to researchers and scientists working in academic, industrial and governmental research laboratories.

Download or read book Emerging Energetic Materials Synthesis Physicochemical and Detonation Properties written by Dabir S. Viswanath and published by Springer. This book was released on 2018-01-02 with total page 477 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book summarizes science and technology of a new generation of high-energy andinsensitive explosives. The objective is to provide professionals with comprehensiveinformation on the synthesis and the physicochemical and detonation properties ofthe explosives. Potential technologies applicable for treatment of contaminated wastestreams from manufacturing facilities and environmental matrices are also be included.This book provides the reader an insight into the depth and breadth of theoreticaland empirical models and experimental techniques currently being developed in thefield of energetic materials. It presents the latest research by DoD engineers andscientists, and some of DoD’s academic and industrial researcher partners. The topicsexplored and the simulations developed or modified for the purposes of energetics mayfind application in other closely related fields, such as the pharmaceutical industry.One of the key features of the book is the treatment of wastewaters generated duringmanufacturing of these energetic materials.

Download or read book Kinetic Measurements of Thermal Decomposition of Energetic Materials at High Pressures written by Gasper J. Piermarini and published by . This book was released on 1988 with total page 4 pages. Available in PDF, EPUB and Kindle. Book excerpt: A new spectroscopic method was developed which permits kinetic measurements of reactions in energetic materials at high pressures. The method utilizes FTIR in conjunction with a diamond anvil high pressure cell. Measurements were made on HMX and nitromethane. The rate of thermal decomposition for HMX was found to have a negative pressure dependence, which, when coupled with the observed thermodynamic activation quantities, led to a unimolecular decomposition mechanism - ring expansion prior to bond scission. Contrary to the HMX case, the decomposition rate for nitromethane was observed to have a positive pressure dependence leading to a bimolecular reaction mechanism which is the result of increased intermolecular interactions. A dynamic stress-induced catastrophic reaction was observed in protonated nitromethane at room temperature, but not in the deuterated form. Keywords: Thermal decomposition, Kinetics, Pressure, Reaction mechanism, Chemical stability, HMX, Nitromethane.

Download or read book Fast Reactions in Energetic Systems written by Christos Capellos and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 747 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the formal lectures and contributed papers given at the NATO Advanced Study Institute on Fast Reactions in Energetic Systems, which took place in Preveza, Greece, during the period 6-19 July 1980. The material describes experimental observations and the more advanced theoretical aspects of certain types of fast reactions and energy or charge transfer processes which are usually complete 6 12 in periods of 10- - 10- seconds. Furthermore, it discusses the role of macroscopic and molecular processes in the ignition, combustion, deflagration, and detonation of solid, liquid, and gaseous chemical systems. Various papers deal with the ability of molecules to absorb and transmit the different forms of energy provided by shock, light, thermal, or electron pulses, and to contribute to the propagation of reactions under high temperatures and pressures. The role of energy pumped or transferred to electronic or vibrational states is discussed in terms of excitation, ionization, bond scission, and the formation of free radicals. The dynamics and reactivity of ionic species, electronically and vibrationally excited states, and free radicals are described for various gaseous, liquid, and solid systems. The proceedings include presentations of theoretical and experimental techniques to describe and observe the phenomena.

Download or read book Model Studies of Energetic Compounds written by W. Robert Carper and published by . This book was released on 1981 with total page 18 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical explosives have been used as weapons for centuries, however, systematic physical and chemical studies of energetic materials have been carried out only since World War II. Even then, we still do not have a detailed knowledge of the exact species in the reaction zone or the applicable kinetic and reaction products of a detonation. Modern weapons are exposed to ever increasing severe environments such as aerodynamic heating and high shock pulses of extended duration in the msec range. Energetic materials capable of surviving this environment and functioning properly must be developed at a reasonable cost. Consequently, research is needed in thermal decomposition kinetics to understand the initiation process. In order to provide necessary shelf-life of energetic materials, we must develop the knowledge to predict the aging process of energetic materials under ambient conditions. This requires research in room temperature kinetics, and how the aging mechanism is affected by binders, etc. The initial objectives of this study included the following: (1) Determination of the mode of thermal decomposition of DATB (diaminotrinitrobenzene-DATNB) and TATB (triaminotrinitrobenzene-TATNB), and the identification of the molecular species produced. (2) Evaluation of the induction periods and energies of activation associated with the thermal decomposition of DATB and TATB. (3) Determination of binder properties of TNB (trinitrobenzene) by studying the DATB-TNB and TATB-TNB molecular complexes by stop-flow and static UV methods.

Download or read book Molecular Modeling of the Sensitivities of Energetic Materials written by Didier Mathieu and published by Elsevier. This book was released on 2022-04-01 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Modeling of the Sensitivities of Energetic Materials, Volume 22 introduces experimental aspects, explores the relationships between sensitivity, molecular structure and crystal structure, discusses insights from numerical simulations, and highlights applications of these approaches to the design of new materials. Providing practical guidelines for implementing predictive models and their application to the search for new compounds, this book is an authoritative guide to an exciting field of research that warrants a computer-aided approach for the investigation and design of safe and powerful explosives or propellants. Much recent effort has been put into modeling sensitivities, with most work focusing on impact sensitivity and leading to a lot of experimental data in this area. Models must therefore be developed to allow evaluation of significant properties from the structure of constitutive molecules. Highlights a range of approaches for computational simulation and the importance of combining them to accurately understand or estimate different parameters Provides an overview of experimental findings and knowledge in a quick and accessible format Presents guidelines to implement sensitivity models using open-source python-related software, thus supporting easy implementation of flexible models and allowing fast assessment of hypotheses

Download or read book Energy Research Abstracts written by and published by . This book was released on 1994 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Summary Report on the Workshop on High Temperature Chemical Kinetics Applications to Combustion Research written by National Measurement Laboratory (U.S.) and published by . This book was released on 1978 with total page 100 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Structure and Properties of Energetic Materials Volume 296 written by Donald H. Liebenberg and published by . This book was released on 1993-05-28 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: The MRS Symposium Proceeding series is an internationally recognised reference suitable for researchers and practitioners.