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Theoretical Study Of Decomposition Mechanism Of High Energy Density Materials
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Book Synopsis Theoretical Study of Decomposition Mechanism of High Energy Density Materials by :
Download or read book Theoretical Study of Decomposition Mechanism of High Energy Density Materials written by and published by . This book was released on 1999 with total page 15 pages. Available in PDF, EPUB and Kindle. Book excerpt: One of the HEDM research efforts has focused on the development of high performance monopropellants as a replacement for hydrazine due to its toxicity. A proposed area of research involves determination of decomposition mechanisms and stabilities of monopropellants by using ab initio quantum mechanical calculations. Decomposition mechanisms of NH2Me2(+)NO3( - ), and NH2(NH2)2(+)NO3( - ) were investigated. The potential energy surfaces of two gas-phase decomposition processes have been explored: (1) proton transfer and (2) Me(+)/NH2(+) transfer reactions. Transition states for both pathways have been located at the RHF/6-31G* level and single point energies at the MP2/6-31G*//RHF/6-31G* level have been calculated. Comparison of similarities and differences between these two systems will be presented here. Future research will involve characterization of the potential energy surface for NH2NMe2NH2(+)NO3( - ) and design of potential catalysts that will stabilize transition states.
Book Synopsis Theoretical Study of the Mechanism of the Decomposition Process of High Energy Density Materials by :
Download or read book Theoretical Study of the Mechanism of the Decomposition Process of High Energy Density Materials written by and published by . This book was released on 1998 with total page 10 pages. Available in PDF, EPUB and Kindle. Book excerpt: One of the goals of the HEDM program is the development of high performance monopropellants which are also less toxic than currently used systems such as hydrazine. Included in this effort is the characterization of decomposition mechanisms, as an initial step toward identification of a suitable catalyst. Ab initio quantum mechanical calculations are performed on the decomposition mechanisms of NH2Me2+NO3%, a potential monopropellant replacement for hydrazine. The potential energy surfaces of two gas-phase decomposition processes have been explored: (1) proton transfer and (2) methyl cation transfer reactions. These reaction pathways have been examined for both the isolated cation NH2Me2 + and in the presence of a counter anion, X=Cl, NO3. For X=Cl, transition states for both pathways have been located at the RHF/6-31G* level and the corresponding intrinsic reaction coordinates (IRCs) have been traced. Comparison of activation barriers and reaction enthalpies for these gas-phase decomposition pathways will be presented here.
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
Book Synopsis High Energy Density Materials by : Thomas M. Klapötke
Download or read book High Energy Density Materials written by Thomas M. Klapötke and published by Springer. This book was released on 2007-06-12 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :Mohammad Hossein Keshavarz Publisher :Walter de Gruyter GmbH & Co KG ISBN 13 :311067775X Total Pages :143 pages Book Rating :4.1/5 (16 download)
Book Synopsis Energetic Compounds by : Mohammad Hossein Keshavarz
Download or read book Energetic Compounds written by Mohammad Hossein Keshavarz and published by Walter de Gruyter GmbH & Co KG. This book was released on 2020-05-05 with total page 143 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book discusses methods for the assessment of energetic compounds through heat of detonation, detonation pressure, velocity and temperature, Gurney energy and power. The authors focus on the detonation pressure and detonation velocity of non-ideal aluminized energetic compounds. This 2nd Edition includes an updated and improved presentation of simple, reliable methods for the design, synthesis and development of novel energetic compounds.
Book Synopsis High Energy-density Materials by : Kenneth Wilson
Download or read book High Energy-density Materials written by Kenneth Wilson and published by . This book was released on 2018-12-06 with total page 96 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dissertation Discovery Company and University of Florida are dedicated to making scholarly works more discoverable and accessible throughout the world. This dissertation, "High Energy-density Materials" by Kenneth John Wilson, was obtained from University of Florida and is being sold with permission from the author. A digital copy of this work may also be found in the university's institutional repository, IR@UF. The content of this dissertation has not been altered in any way. We have altered the formatting in order to facilitate the ease of printing and reading of the dissertation.
Book Synopsis High Energy-density Materials by : Kenneth John Wilson
Download or read book High Energy-density Materials written by Kenneth John Wilson and published by . This book was released on 2002 with total page 86 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Issues in Computation: 2011 Edition by :
Download or read book Issues in Computation: 2011 Edition written by and published by ScholarlyEditions. This book was released on 2012-01-09 with total page 1318 pages. Available in PDF, EPUB and Kindle. Book excerpt: Issues in Computation / 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Computation. The editors have built Issues in Computation: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Computation in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Computation / 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Green Energetic Materials by : Tore Brinck
Download or read book Green Energetic Materials written by Tore Brinck and published by John Wiley & Sons. This book was released on 2014-01-15 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive book presents a detailed account of research and recent developments in the field of green energetic materials, including pyrotechnics, explosives and propellants. This area is attracting increasing interest in the community as it undergoes a transition from using traditional processes, to more environmentally-friendly procedures. The book covers the entire line of research from the initial theoretical modelling and design of new materials, to the development of sustainable manufacturing processes. It also addresses materials that have already reached the production line, as well as considering future developments in this evolving field.
Book Synopsis Intrinsic Structures and Properties of Energetic Materials by : Chaoyang Zhang
Download or read book Intrinsic Structures and Properties of Energetic Materials written by Chaoyang Zhang and published by Springer Nature. This book was released on 2023-06-30 with total page 469 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights the intrinsic structures of all kinds of energetic compounds and some structure–property relationships therein. Energetic materials are a class of energy materials that can transiently release a large amount of gases and heat by self-redox after stimulated and usually refer to explosives, propellants and pyrotechnics. Nowadays, in combination with various theories and simulation-aided material design technologies, many new kinds of energetic materials like energetic extended solids, energetic ionic salts, energetic metal organic frames, energetic co-crystals and energetic perovskites have been created, in addition to traditional energetic molecular crystals. It is somewhat dazzling, and an issue of how we can understand these new types of energetic materials is raised. In the past about 20 years, we were immersed in the computational energetic materials. By means of defining a concept of intrinsic structures of energetic materials, which refers to the crystal packing structure of energetic materials, as well as molecule for molecular solid specially, the microscopic structures have been mostly clarified, and related with many macroscopic properties and performances, with molecular simulations. This book presents our understanding about it. Thereby, a simply and new way to readily understand energetic materials is expected to be paved, based on this book. It contains energetic molecular crystals, energetic ionic crystals, energetic atomic crystals, energetic metallic crystals and energetic mixed-type crystals and the substructures closest to crystal packing. Meanwhile, the common intermolecular interactions in energetic crystals will be introduced. In addition, theoretical and simulation methods for treating the intrinsic structures will be briefed, as they are the main tools to reveal the molecules and crystals. Besides, the polymorphism as a level of intrinsic structures will be briefly discussed. In the final of this book, we introduce the crystal engineering of energetic materials. This book features the first proposal of intrinsic structure and crystal engineering of energetic materials and the understanding of the properties and performances of energetic materials by maintaining a concept that structure determines property. It helps to promote the rationality in creating new energetic materials, rather than increase experience.
Book Synopsis Theoretical Studies of the Dynamics of Condensed Phase High Energy Density Materials by :
Download or read book Theoretical Studies of the Dynamics of Condensed Phase High Energy Density Materials written by and published by . This book was released on 1997 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum solids such as hydrogen, which contain matrix isolated reactive species such as atomic lithium, boron, hydrogen, nitrogen, organic radicals, etc., have been suggested as possible high energy density matter (HEDM) for propulsion purposes. At temperatures appropriate to the condensed phases of hydrogen, both the light guest species and the host solid molecules exhibit very significant quantum mechanical effects. This report describes the development and application of quantum mechanical methods to computationally probe the dynamical and structural behavior of impurity species (e.g., atomic lithium) in solid, liquid, and cluster para-hydrogen. These studies were based on the Feynman path integral formulation of statistical mechanics. Both the structural and dynamical aspects of the composite condensed phase systems are reported. The long range strategic goal of the research program was to develop a computational methodology for predicting the stability of prospective cryogenic HEDM.
Book Synopsis Energetic Materials by : John R. Sabin
Download or read book Energetic Materials written by John R. Sabin and published by Academic Press. This book was released on 2014-02-10 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine. - This volume presents a series of articles concerning current important topics in quantum chemistry. The invited articles are written by the best people in the field
Book Synopsis High-Energy-Density Fuels for Advanced Propulsion by : Ji-Jun Zou
Download or read book High-Energy-Density Fuels for Advanced Propulsion written by Ji-Jun Zou and published by John Wiley & Sons. This book was released on 2020-11-09 with total page 514 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book comprehensively and systematically demonstrates the theory and practice of designing, synthesizing and improving the performance of fuels. The contents range from polycyoalkane fuels, strained fuels, alky-diamondoid fuels, hypergolic and nanofluid fuels derived from fossil and biomass. All the chapters together clearly describe the important aspects of high-energy-density fuels including molecular design, synthesis route, physiochemical properties, and their application in improving the aerocraft performance. Vivid schematics and illustrations throughout the book enhance the accessibility to the relevant theory and technologies. This book provides the readers with fundamentals on high-energy-density fuels and their potential in advanced aerospace propulsion, and also provides the readers with inspiration for new development of advanced aerospace fuels.
Book Synopsis Modern Heterocyclic Chemistry, 4 Volumes by : Julio Alvarez-Builla
Download or read book Modern Heterocyclic Chemistry, 4 Volumes written by Julio Alvarez-Builla and published by John Wiley & Sons. This book was released on 2011-08-15 with total page 2531 pages. Available in PDF, EPUB and Kindle. Book excerpt: Eine Fülle von Information zum attraktiven Preis bietet Ihnen dieses vierbändige Handbuch der Heterocyclenchemie.
Book Synopsis Nanoenergetic Materials by : Djalal Trache
Download or read book Nanoenergetic Materials written by Djalal Trache and published by MDPI. This book was released on 2021-03-25 with total page 234 pages. Available in PDF, EPUB and Kindle. Book excerpt: This highly informative and carefully presented book discusses the preparation, processing, characterization and applications of different types of nanoenergetic materials, as well as the tailoring of their properties. It gives an overview of recent advances of outstanding classes of energetic materials applied in the fields of physics, chemistry, aerospace, defense, and materials science, among others. The content of this book is relevant to researchers in academia and industry professionals working on the development of advanced nanoenergetic materials and their applications.
Book Synopsis The Mechanisms of Pyrolysis, Oxidation, and Burning of Organic Materials by : Leo Aloysius Wall
Download or read book The Mechanisms of Pyrolysis, Oxidation, and Burning of Organic Materials written by Leo Aloysius Wall and published by . This book was released on 1972 with total page 204 pages. Available in PDF, EPUB and Kindle. Book excerpt:
