rdf-syntax-grammar
mods:
  schema location: http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
  title info:
    title: Mathematical modelling of gas-phase complex reaction systems
    sub title: pyrolysis and combustion
  name:
    name part: Faravelli, Tiziano
    role:
      role term: editor.
  name:
    name part: Manenti, Flavio
    role:
      role term: editor.
  name:
    name part: Ranzi, Eliseo
    role:
      role term: editor.
  name:
    name part: ScienceDirect (Online service)
  type of resource: text
  genre: Electronic books.
  origin info:
    place:
      place term: ne
    date issued: 2019
    copyright date: 2019
    edition: First edition.
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: remote
    extent: 1 online resource
  abstract: Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion, Volume 45, gives an overview of the different steps involved in the development and application of detailed kinetic mechanisms, mainly relating to pyrolysis and combustion processes. The book is divided into two parts that cover the chemistry and kinetic models and then the numerical and statistical methods. It offers a comprehensive coverage of the theory and tools needed, along with the steps necessary for practical and industrial applications.
  table of contents: Front Cover; Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion; Copyright; Contents; Contributors; Preface; Introduction; Part I: Kinetic Mechanisms; Chapter 1: Thermochemistry; 1. Introduction; 2. An overview of some relevant thermochemical conventions; 3. The expression of uncertainty in thermochemistry; 4. An overview of relevant thermochemical quantities; 5. A brief history of thermochemistry, and an overview of traditional tabulations; 6. A brief overview of theoretical approaches to thermochemistry
  table of contents: 7. Group additivity (GA) approach to thermochemistry8. Active Thermochemical Tables; 9. Representation of thermochemical parameters via polynomials; 10. Conclusions; Acknowledgments; References; Chapter 2: Ab initio kinetics for pyrolysis and combustion systems; 1. Introduction; 2. AI electronic structure theory; 2.1. Single-reference methods; 2.1.1. Density functional theory; 2.1.2. Wave function based methods; 2.1.3. Composite methods; 2.1.4. High-accuracy composite methods; 2.2. Multireference methods; 3. Pressure-independent rate constants: Ab initio TST; 3.1. Radical-molecule reactions
  table of contents: 3.1.1. Methodology3.1.1.1. Partition functions; 3.1.1.2. Variational effects; 3.1.1.3. Multiple transition states; 3.1.1.4. Tunneling; 3.1.2. Abstraction; 3.1.3. Beta-scission; 3.1.4. Additions; 3.1.5. Torsions; 3.1.6. Larger molecules; 3.2. Radical-radical reactions; 3.2.1. Methodology overview; 3.2.2. Recombination/addition; 3.2.3. Abstraction/disproportionation; 4. Pressure-dependent rates: The master equation; 4.1. Collisional energy transfer; 4.2. Single-well single-channel reactions; 4.3. Multiple-well multiple-channel reactions; 4.3.1. PAH chemistry
  table of contents: 5. Trajectory simulations for exothermic reactions6. Automation; 7. Conclusion; Acknowledgments; References; Chapter 3: Shock tube techniques for kinetic target data to improve reaction models; 1. Introduction; 2. Principles of shock tube operation; 3. Data types of shock tube combustion measurements; 3.1. Ignition delay time; 3.2. Species time-history; 3.3. Fundamental reaction rate constants; 4. Recent advances in shock tube techniques; 4.1. Use of driver inserts to counteract nonidealities in real shock tubes; 4.2. Extending shock tube test times with tailoring and driver geometry
  table of contents: 4.3. Constrained-reaction-volume strategy to achieve near-constant-pressure test conditions throughout energetic reaction ... 5. Diagnostic methods; 5.1. Classic methods; 5.2. Laser absorption spectroscopy; 5.3. Recent advances in laser absorption methodologies for shock tube kinetics studies; 5.3.1. Multiwavelength methods and matrix analysis; 5.3.2. Two-color thermometry; 5.3.3. Isotopic labeling; 5.3.4. Rapid laser chirp and cavity ringdown; 5.3.5. Cavity-enhanced absorption spectroscopy; 6. Concluding remarks; Acknowledgments; References; Chapter 4: Rate rules and reaction classes
  note: edited by Tiziano Faravelli, Flavio Manenti, Eliseo Ranzi.
  note: Includes index.
  subject:
    topic: Kinetic theory of gases
    topic: Mathematical models
  subject:
    topic: Pyrolysis
    topic: Mathematical models
  subject:
    topic: Combustion
    topic: Mathematical models
  subject:
    topic: Théorie cinétique des gaz
    topic: Modèles mathématiques
  subject:
    topic: Pyrolyse
    topic: Modèles mathématiques
  subject:
    topic: Combustion
    topic: Modèles mathématiques
  subject:
    topic: SCIENCE
    topic: Chemistry
    topic: Physical & Theoretical
  subject:
    topic: Combustion
    topic: Mathematical models
  subject:
    topic: Kinetic theory of gases
    topic: Mathematical models
  subject:
    topic: Pyrolysis
    topic: Mathematical models
  classification: QD511
  classification: 541/.36
  related item:
    title info:
      title: Computer-aided chemical engineering ; 45
  identifier: 9780444640888
  identifier: 0444640886
  identifier: 0444640878
  identifier: 9780444640871
  identifier: 9780128195796
  identifier: 0128195797
  identifier: 9780444640888 Ingram Content Group
  identifier: http://proxy.library.tamu.edu/login
  record info:
    record content source: N$T
    record creation date: 190617
    record change date: 20260327163032.1
    record identifier: in00005765096
    language of cataloging:
      language term: eng