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• 1. Introduction: The Place of Antagonism and Feuds in Advancing Science
• 2. Vladimir Vasil'evich Markovnikov and Markovnikov's Rule for Addition
• 3. Aleksandr Mikhailovich Zaitsev and Zaitsev's Rule for Elimination
• 4. Markovnikov's Rule and Controversies Over It
• 5. Mechanistic Considerations in Bimolecular Elimination Reactions
• 6. Development of Highly Regioselective Addition Reactions
• 7. Development of Highly Regiospecific Alkene Syntheses.
• (source: Nielsen Book Data)

Addition, Elimination and Substitution: Markovnikov, Hofmann, Zaitsev and Walden: Discovery and Development discusses foundational reactions in organic chemistry and their major protagonists, contributions to synthesis, and history. Hofmann, Zaitsev, and Markovnikov are introduced, along with their major discoveries and contributions to organic chemistry. The history of controversies around Markovnikov's Rule are addressed. The book introduces Walden's original demonstration of configuration inversion, then discusses bimolecular elimination reactions, regioselective addition reactions, regiospecific alkene synthesis, and the development of modern reactions with configuration inversion. With its unique perspective, focus, and comprehensive coverage, this book belongs on the shelf of every organic chemist.
(source: Nielsen Book Data)

• Preface
• Zero & Vacuum: Parallel Stories of Two Parallel Concepts
• Chemical Action & the Transition State Reactivity
• On The Algebraic Chemistry of Catalysis
• Modeling of The Solid-State Polymerization Kinetics
• Dependence of Thermodynamic Characteristics Upon Spatial-Energy Parameter of Free Atoms
• On Chemical Hardness Assessment of Aromaticity for Some Organic Compounds
• A Quantum Mechanical Calculation of The Reactivity Descriptors of Ammonia (NH3) Molecule During The Physical Process of Its Umbrella (C3v --D3h) Inversion & Identification of The Preferred Conformation of Reaction in The Gas Phase
• Computation of Some Descriptors of The Real World in Terms of A New Scale of Electronegativity. Part 1. The Dipole Moments of Some Heteronuclear Diatomic Molecules
• Computation of Some Descriptors of The Real World in Terms of A New Scale of Electronegativity. Part 2. Evaluation of Equilibrium Internuclear Bond Distances of Some Heteronuclear Diatomics
• Density Functional Study on The Stability & Reactivity of Pt(100) & Pt(111) Surfaces Modified by Ni Atoms
• Modeling on Methanol Clusters in Terms of Ab Initio & ABEEM/MM Methods
• Twisted Phenanthrene & Other Molecular Victims of Steric Repulsion
• H-4-Noreudesman-6,12-Olide(-Hydroxy-4-Oxo-11(Molecular Modeling & Spectroscopic Properties of A Sesquiterpene Lactone, 1.
• (source: Nielsen Book Data)

This book presents and discusses current research in the study of chemical modelling. Topics discussed include chemical action and the transition state reactivity; algebraic chemistry of catalysis; solid-state polymerisation kinetics; fractal features of proteins structure and dynamics; modelling on methanol clusters; chemical hardness assessment of aromaticity for certain organic compounds; dependence of thermodynamic characteristics on spatial-energy parameter or free atoms and the scattering of particles and waves on nucleon nodes of the atom.
(source: Nielsen Book Data)

• Metal-Catalyzed Cross-Coupling Reactions
• A Historic Overview of the Metal-Catalyzed Cross-Coupling Reactions / Yaushi Nishihara
• Mechanisms and Fundamental Reactions / Masayuki Iwasaki, Yasushi Nishihara
• Applications of the Cross-Coupling Reactions
• Natural Product Synthesis / Yasuhiro Okuda, Yasushi Nishihara
• Pharmaceuticals / Jiao Jiao, Yasushi Nishihara
• Liquid Crystals / Ning-Hui Chang, Megumi Kinoshita, Yasushi Nishihara
• Conjugated Polymers / Daisuke Ogawa, Yasushi Nishihara
• Recent Advances in Cross-Coupling Reactions
• Recent Advances in Cross-Coupling Reactions with Aryl Chlorides, Tosylates, and Mesylates / Shintaro Noyori, Yasushi Nishihara
• Recent Advances in Cross-Coupling Reactions with Alkyl Halides / Arisa Yamamoto, Yugo Nishimura, Yasushi Nishihara.

""Applied Cross-Coupling Reactions"" provides students and teachers of advanced organic chemistry with an overview of the history, mechanisms and applications of cross-coupling reactions. Since the discovery of the transition-metal-catalyzed cross-coupling reactions in 1972, numerous synthetic uses and industrial applications have been developed. The mechanistic studies of the cross-coupling reactions have disclosed that three fundamental reactions: oxidative addition, transmetalation, and reductive elimination, are involved in a catalytic cycle. Cross-coupling reactions have allowed us to pro

• Asymmetric Dearomatization with Chiral Auxiliaries and Reagents
• Organocatalytic Asymmetric Transfer Hydrogenation of (Hetero)Arenes
• Transition-Metal-Catalyzed Asymmetric Hydrogenation of Aromatics
• Stepwise Asymmetric Dearomatization of Phenols
• Asymmetric Oxidative Dearomatization Reaction
• Asymmetric Dearomatization via Cycloaddition Reaction
• Organocatalytic Asymmetric Dearomatization Reactions
• Dearomatization via Transition-Metal-Catalyzed Allylic Substitution Reactions
• Dearomatization via Transition-Metal-Catalyzed Cross-Coupling Reactions
• Dearomatization Reactions of Electron-Deficient Aromatic Rings
• Asymmetric Dearomatization Under Enzymatic Conditions
• Total Synthesis of Complex Natural Products via Dearomatization
• Miscellaneous Asymmetric Dearomatization Reactions.

The first comprehensive account of the rapidly growing field of asymmetric dearomatization reactions with a focus on catalytic methods. It introduces the concept of dearomatization and describes recent progress in asymmetric reaction procedures with different catalyst systems, such as organocatalysts, transition metal catalysts, and enzymes. Chapters on dearomatizations of electron-deficient aromatic rings, dearomatization reactions via transition metal-catalyzed cross-couplings as well as dearomatization strategies in the synthesis of complex natural products are also included. Written by pioneers in the field, this is a highly valuable source of information not only for professional synthetic chemists in academia and industry but also for all those are interested in asymmetric methodologies and organic synthesis in general.
(source: Nielsen Book Data)

As part of the Solar Reliability and Materials Program at Argonne National Laboratory, the atmospheric corrosion of candidate batten and enclosure materials were tested on outdoor racks parallel to the tilted solar-collected panels at nine National Solar Data Network (NSDN) sites, located in mild marine, mild industrial, and rural environments. The candidate materials evaluated include galvanized steel (G-90), aluminized steel (Type 2), aluminum (6061), and white polyester painted steel
Data analyses predicted that all the first three materials will last more than 20 years in the nine sites tested. However, repainting of the painted steel is probably needed within five years in a mild marine environment and five to ten years in a mild industrial or rural environment

• Historical background of atmospheric secondary aerosol research
• Fundamentals of multiphase chemical reactions
• Gas-phase reactions related to secondary organic aerosols
• Aqueous-phase reactions related to secondary organic aerosols
• Heterogeneous oxidation reactions at organic aerosol surfaces
• Reactions at the air-water and air-solid particle interface
• Atmospheric new particle formation and cloud condensation nuclei
• Field observation of secondary organic aerosols (SOA).

An important guide that highlights the multiphase chemical processes for students and professionals who want to learn more about aerosol chemistry Atmospheric Multiphase Reaction Chemistry provides the information and knowledge of multiphase chemical processes and offers a review of the fundamentals on gas-liquid equilibrium, gas phase reactions, bulk aqueous phase reactions, and gas-particle interface reactions related to formation of secondary aerosols. The authors--noted experts on the topic--also describe new particle formation, and cloud condensation nuclei activity. In addition, the text includes descriptions of field observations on secondary aerosols and PM2.5. Atmospheric aerosols play a critical role in air quality and climate change. There is growing evidence that the multiphase reactions involving heterogeneous reactions on the air-particle interface and the reactions in the bulk liquid phase of wet aerosol and cloud/fog droplets are important processes forming secondary aerosols in addition to gas-phase oxidation reactions to form low-volatile compounds. Comprehensive in scope, the book offers an understanding of the topic by providing a historical overview of secondary aerosols, the fundamentals of multiphase reactions, gas-phase reactions of volatile organic compounds, aqueous phase and air-particle interface reactions of organic compound. This important text: Provides knowledge on multiphase chemical processes for graduate students and research scientists Includes fundamentals on gas-liquid equilibrium, gas phase reactions, bulk aqueous phase reactions, and gas-particle interface reactions related to formation of secondary aerosols Covers in detail reaction chemistry of secondary organic aerosols Written for students and research scientists in atmospheric chemistry and aerosol science of environmental engineering, Atmospheric Multiphase Reaction Chemistry offers an essential guide to the fundamentals of multiphase chemical processes.
(source: Nielsen Book Data)

• Introduction to Atmospheric Chemistry
• Dawn of Modern Chemistry and Chemistry of Atmosphere
• Chemistry of Atmosphere to Atmospheric Chemistry
• Textbooks of Atmospheric Chemistry
• Fundamentals of Chemical Reactions
• Photochemistry and Photolytic Reactions
• Bimolecular Reactions
• Termolecular and Unimolecular Reactions
• Multiphase Heterogeneous Reactions
• Solar Radiation and Actinic Flux
• Solar Spectrum Outside of the Atmosphere
• Attenuation of Solar Radiation by N2, O2 and O3 in the Atmosphere
• Solar Zenith Angle and Air Mass
• Scattering by Atmospheric Molecule and Particles, and Surface Albedo
• Actinic Flux and Photolysis Rates
• Absorption Spectrum of Atmospheric Molecules, and Photolysis Reactions
• Solar Spectrum in the Troposphere and the Stratosphere
• Photolysis in the Troposphere
• Photolysis in the Stratosphere
• Photolysis of Inorganic Halogen Compounds
• Homogeneous Elementary Reactions in the Atmosphere and Rate Constants
• Reactions of O(3P) and O(1D) Atoms
• Reactions of OH Radicals
• Reactions of HO2 and CH3O2 Radicals
• Reactions of O3
• Reactions of NO3 Radicals
• Reactions of Cl Atoms and ClO Radicals
• Heterogeneous Reactions in the Atmosphere and Uptake Coefficients
• Uptake to Water Droplet
• Uptake to Sea Salt and Alkali Halides, and Surface Reactions
• Uptake to Soil and Mineral Dusts, and Surface Reactions
• Uptake to Soot, and Surface Reactions
• Surface Reactions on Polar Stratospheric Clouds (PSC)
• Tropospheric Reaction Chemistry
• HOx Chain Reactions and Oxidation of Methane in the Natural Atmosphere
• Oxidation Reactions of VOC in the Polluted Atmosphere
• Production and Loss of O3 by HOx Chain Reactions
• Measurements of OH and HO2 Radicals in the Atmosphere, and Validation of Models
• Tropospheric Halogen Chemistry
• Tropospheric Sulfur Chemistry
• "Discovery" of OH Radical Chain Mechanism
• Smog Chamber
• Stratospheric Reaction Chemistry
• Pure Oxygen Atmosphere and Ozone Layer
• Ozone Loss Cycles by Trace Gases
• Gas Phase Chain Reactions and Ozone Destruction by CFC
• Multiphase Reactions on PSC and Ozone Hole
• Stratospheric Sulfur Chemistry.

This book is aimed at graduate students and research scientists interested in gaining a deeper understanding of atmospheric chemistry, fundamental photochemistry, and gas phase and heterogeneous reaction kinetics. It also provides all necessary spectroscopic and kinetic data, which should be useful as reference sources for research scientists in atmospheric chemistry. As an application of reaction chemistry, it provides chapters on tropospheric and stratospheric reaction chemistry, covering tropospheric ozone and photochemical oxidant formation, stratospheric ozone depletion and sulfur chemistry related to acid deposition and the stratospheric aerosol layer. This book is intended not only for students of chemistry but also particularly for non-chemistry students who are studying meteorology, radiation physics, engineering, and ecology/biology and who wish to find a useful source on reaction chemistry.

• Chapter 1: Some Milestones in the Development of Surface Chemistry and Catalysis
• 1 Introduction
• 2 1926: Catalysis, Theory and Practice
• Rideal and Taylor
• 3 1932: Adsorption of Gases by Solids
• Faraday Discussion, Oxford
• 4 1940: Seventeenth Faraday Lecture
• Langmuir
• 5 1950: Heterogeneous Catalysis
• Faraday Discussion, Liverpool
• 6 1957: Advances in Catalysis
• International Congress on Catalysis, Philadelphia
• 7 1963: Conference on Clean Surfaces with Supplement: Surface Phenomena in Semiconductors, New York
• 8 1966: Faraday Discussion Meeting, Liverpool
• 9 1967: The Emergence of Photoelectron Spectroscopy
• 10 1968: Berkeley Meeting: Structure and Chemistry of Solid Surfaces
• 11 1972: A Discussion on the Physics and Chemistry of Surfaces, London
• 12 1987: Faraday Symposium, Bath Summary
• References
• Further Reading
• Chapter 2: Experimental Methods in Surface Science Relevant to STM
• 1 Introduction
• 2 Kinetic Methods
• 3 Vibrational Spectroscopy
• 4 Work Function
• 5 Structural Studies
• 6 Photoelectron Spectroscopy
• 7 The Dynamics of Adsorption
• Summary
• References
• Further Reading
• Chapter 3: Scanning Tunnelling Microscopy: Theory and Experiment
• 1 The Development of Ultramicroscopy
• 2 The Theory of STM
• 3 The Interpretation of STM Images
• 4 Scanning Tunnelling Spectroscopy
• 5 The STM Experiment
• 6 The Scanner
• Sample Approach
• Adaptations of the Scanner for Specific Experiments
• 7 Making STM Tips
• Tip Materials
• References
• Chapter 4: Dynamics of Surface Reactions and Oxygen Chemisorption
• 1 Introduction
• 2 Surface Reconstruction and "Oxide" Formation
• 3 Oxygen States at Metal Surfaces
• 4 Control of Oxygen States by Coadsorbates
• 5 Adsorbate Interactions, Mobility and Residence Times
• 6 Atom-tracking STM
• 7 Hot Oxygen Adatoms: How Are They Formed?
• Summary
• References
• Further Reading
• Chapter 5: Catalytic Oxidation at Metal Surfaces: Atom Resolved Evidence
• 1 Introduction
• 2 Ammonia Oxidation
• Cu(110) Pre-exposed to Oxygen
• Coadsorption of Ammonia-Oxygen Mixtures at Cu(110)
• Coadsorption of Ammonia-Oxygen Mixtures at Mg(0001)
• Ni(110) Pre-exposed to Oxygen
• Ag(110) Pre-exposed to Oxygen
• 3 Oxidation of Carbon Monoxide
• 4 Oxidation of Hydrogen
• 5 Oxidation of Hydrocarbons
• 6 Oxidation of Hydrogen Sulfide and Sulfur Dioxide
• 7 Theoretical Analysis of Activation by Oxygen
• Summary
• References
• Further Reading
• Chapter 6: Surface Modification by Alkali Metals
• 1 Introduction
• 2 Infrared Studies of CO at Cu(110)-Cs
• 3 Structural Studies of the Alkali Metal-modified Cu(110) Surfaces
• Low-energy Electron Diffraction
• Scanning Tunnelling Microscopy
• Cu(110)-Cs System
• Oxygen Chemisorption at Cu(110)-Cs
• 4 Reactivity of Cu(110)-Cs to NH3 and CO2
• 5 Au(110)-K System
• 6 Cu(100)-Li System
• Summary
• References
• Further Reading
• Chapter 7: STM at High Pressure
• 1 Introduction
• 2 Catalysis and Chemisorption at Metals at High Pressure
• Carbon Monoxide and Nitric Oxide
• Hydrogenation of Olefins
• 3 Restructuring of the Pt(110)-(1 I 2) Surface by Carbon Monoxide
• 4 Adsorption-induced Step Formation
• 5 Gold Particles at FeO(111)
• 6 Hydrogen-Deuterium Exchange and Surface Poisoning
• Summary
• References
• Further Reading
• Chapter 8: Molecular and Dissociated States of Molecules: Biphasic Systems
• 1 Introduction
• 2 Nitric Oxide
• 3 Nitrogen Adatoms: Surface Structure
• 4 Carbon Monoxide
• 5 Hydrogen
• 6 Dissociative Chemisorption of HCl at Cu(110)
• 7 Chlorobenzene
• 8 Hydrocarbon Dissociation: Carbide Formation
• 9 Dissociative Chemisorption of Phenyl Iodide
• 10 Chemisorption and Trimerization of Acetylene at Pt(111)
• Summary
• References
• Further Reading
• Chapter 9: Nanoparticles and Chemical Reactivity
• 1 Introduction
• 2 Controlling Cluster Size on Surfaces
• 3 Alloy Ensembles
• 4 Nanoclusters at Oxide Surfaces
• 5 Oxidation and Polymerisation at Pd Atoms Deposited on MgO Surfaces
• 6 Clusters in Nanocatalysis
• 7 Molybdenum Sulfide Nanoclusters and Catalytic Hydrodesulfurisation Reaction Pathways
• 8 Nanoparticle Geometry at Oxide-supported Catalysts
• Summary
• References
• Further Reading
• Chapter 10: Studies of Sulfur and Thiols at Metal Surfaces
• 1 Introduction
• 2 Studies of Atomic Sulfur Adsorbed at Metal Surfaces
• Copper
• Nickel
• Gold and Silver
• Platinum, Rhodium, Ruthenium and Rhenium
• Alloy systems
• 3 Sulfur-containing Molecules
• Summary
• References
• Further Reading
• Chapter 11: Surface Engineering at the Nanoscale
• 1 Introduction
• 2 "Bottom-up" Surface Engineering
• Van der Waals Forces
• Hydrogen Bonding
• Chiral Surfaces from Prochiral Adsorbates
• Covalently Bonded Systems
• 3 Surface Engineering Using Diblock Copolymer Templates
• Summary
• References
• Further Reading
• Epilogue
• Catalysis and the Greenhouse Phenomenon
• Subject Index--.
• (source: Nielsen Book Data)

This book offers a unique perspective of the impact of scanning probe microscopes on our understanding of the chemistry of the surface at the nanoscale. Research oriented, with the concepts gleaned from Scanning Tunnelling Microscopy being related to the more established and accepted views in surface chemistry and catalysis, the authors have addressed the question "How do the models based on classical spectroscopic and kinetic studies stand up to scrutiny at the atom-resolved level?". In taking this approach the reader, new to the field of surface chemistry, should be able to obtain a perspective on how the evidence from STM confirms or questions long standing tenets. An emphasis is given to "how did we get to where we are now" and a large number of figures from the literature are included along with suggestions for further reading. Topics discussed include: - the dynamics of oxygen chemisorption at metal surfaces - control of oxygen states and surface reconstruction - dissociative chemisorption of diatomic and hydrocarbon molecules - nanoparticles and chemical reactivity - STM at high pressures - structural studies of sulfur containing molecules and molecular templating This book will appeal to all those who wish to become familiar with the contribution Scanning Tunnelling Microscopy has made to the understanding of the field of surface chemistry and heterogeneous catalysis and also to those who are new to catalysis, a fascinating and important area of chemistry.
(source: Nielsen Book Data)

Until now, popular science has relegated the atom to a supporting role in defining the different chemical elements of the periodic table. This bold new title places its subject center stage, shining the spotlight directly onto the structure and properties of this tiniest amount of anything it is possible to identify. The book covers a huge range of topics, including the development of scientific thinking about the atom, the basic structure of the atom, how the interactions between atoms account for the familiar properties of everyday materials; the power and mystery of the atomic nucleus, and what the mysterious quantum realm of subatomic particles and their interactions can tell us about the very nature of reality. Sparkling text banishes an outdated world of dull chemistry, as it brightly introduces the reader to what everything is made of and how it all works, on the most fundamental level.
(source: Nielsen Book Data)

A century and a half ago the pioneering physicist and chemist Michael Faraday delivered a celebrated series of lectures that attempted to explain the inner workings of matter through the chemical history of a candle. "There is no better, there is no more open door by which you can enter into the study of natural philosophy", Faraday told his audience. Now the distinguished chemist P.W. Atkins follows in Faraday's footsteps, using his predecessor's deceptively simple theme to show how far we have come in understanding the remarkable chemical reactions that govern everything from how candles burn to how life functions. While Faraday could say little more than that a chemical reaction changes a substance's appearance and properties, chemists today understand reactions in terms of the rearrangement of atoms and electrons. Atkins - tracing the course of a carbon atom released by a flaming candle - explores the complex forces that operate at the atomic and sub atomic levels to drive these rearrangements.
(source: Nielsen Book Data)

• Reactive Chemical Hazards Specific Chemicals (main entries)
• Appendix 1 Abbreviations
• Appendix 2 Fire-Related Data
• Appendix 3 Glossary and Technical terms
• Appendix 4 Index of Chemical Names and Serial Numbers
• Appendix 5 Index of CAS Registry Numbers.
• (source: Nielsen Book Data)

Bretherick's Handbook of Reactive Chemical Hazards, Eighth Edition presents the latest updates on the unexpected, but predictable, loss of containment and explosion hazards from chemicals and their admixtures and actual accidents. The extensively cross-referenced book enables readers to avoid explosion and loss of containment of chemicals. Primary and more specialized sources are easily traced, and this new edition includes available record updates, also adding a number of new records. In this newly updated and expanded edition, the content is presented in a clear and user-friendly format.
(source: Nielsen Book Data)

• Volume 1-Introduction
• Reactive chemical hazards
• SPECIFIC CHEMICALS (Elements and compounds arranged in formula order) Volume 2-CLASSES, GROUPS AND TOPICS (Entries arranged in alphabetical order)
• Source title abbreviations used in references
• tabulated fire related data
• Glossary of abbreviations and technical terms
• Index of chemical names and synonyms used in section 1
• Index of class, group and topic titles used in section 2
• Index of section 2 titles classified by type
• Index of CAS registry numbers vs serial numbers in section 1.
• (source: Nielsen Book Data)

'An outstanding text...thoroughly recommended' - "Loss Prevention Bulletin". 'A book that should be in every laboratory, chemical plant, emergency response and fire control center, school and college ...I commend this book to anyone concerned with chemical safety and hygiene' - "Chemical and Engineering News". '..a book that every chemist should have on their shelf' - "New Scientist". 'This book continues to be an essential source of reference for all those about to embark upon unknown brews and concoctions of seemingly innocent chemicals' - "Chemistry and Industry". 'The indexes are excellent, and there are very useful cross-references between different species and different reactions.' - "Choice". 'It is also a very helpful and quick entry into the literature on the many unstable chemicals that have been synthesized and characterized during the 20th century.' - "Choice". 'Bretherick' is widely accepted as the reference work on reactive chemical hazards and is essential for all those working with chemicals. It includes every chemical for which documented information on reactive hazards has been found. The text covers over 5000 elements and compounds and as many again of secondary entries involving two or more compounds. One of its most valuable features is the extensive cross referencing throughout both sections which links similar compounds or incidents not obviously related. The sixth edition has been completely updated and revised by Peter Urben and contains documented information on hazards and appropriate references up to 1999. Volume 1 is devoted to specific information on the stability of the listed compounds, or the reactivity of mixtures of two or more of them under various circumstances. Each compound is identified by an UPAC-based name, the CAS registry number, its empirical formula and structure. Each description of an incident or violent reaction gives reference to the original literature. Each chemical is classified on the basis of similarities in structure or reactivity, and these groups are listed alphabetically in Volume 2. The group entries contain a complete listing of all the compounds in Volume 1 assigned to that group to assist cross referral to similar compounds. Volume 2 also contains hazard topic entries arranged alphabetically, some with lists. Appendices include a fire related data table for higher risk chemicals, indexes of registry numbers and chemical names as well as reference abbreviations and a glossary.
(source: Nielsen Book Data)

• Volume 1 - Introduction
• Reactive chemical hazards
• SPECIFIC CHEMICALS (Elements and compounds arranged in formula order) Volume 2 - CLASSES, GROUPS AND TOPICS (Entries arranged in alphabetical order)
• Source title abbreviations used in references
• tabulated fire related data
• Glossary of abbreviations and technical terms
• Index of chemical names and synonyms used in section 1
• Index of class, group and topic titles used in section 2
• Index of section 2 titles classified by type
• Index of CAS registry numbers vs serial numbers in section 1.
• (source: Nielsen Book Data)

"Bretherick's Handbook of Reactive Chemical Hazards" is widely regarded as the reference work in this field - an assembly of all reported risks such as explosion, fire, toxic or high-energy events that result from chemical reactions gone astray, with extensive referencing to the primary literature. It is designed to improve safety in laboratories that perform chemical synthesis and general research, as well as chemical manufacturing plants. Entries are ordered by empirical formula and indexed under both name(s) and Chemical Abstracts Registry Numbers. This two-volume compendium focuses on reactivity risks of chemicals, alone and in combination; toxicity hazards are only included for unexpected reactions giving volatile poisons. The 2-volume set is available on an introductory price of $320/270/GBP185 until Jan 2007. Will then revert to the list price of $395/330/GBP230?. Order your copy at the introductory price now. Predict, avoid, and control reactivity danger with this latest edition of the leading guide. It covers every chemical with documented information on reactive hazards; more than 5,000 entries on single elements or compounds, and 5,000 entries on the interactions between two or more compounds. It includes five years of new reports, new references to the primary literature, and amplification to existing entries. It links similar compounds or incidents that are not obviously related.
(source: Nielsen Book Data)

• On the Role of Amadori Rearrangement Products as Precursors of Aroma-Active Strecker Aldehydes in Cocoa / Hartmann, Sandra; Schieberle, Peter / http://dx.doi.org/10.1021/bk-2016-1237.ch001
• Use of Galvanic Cell Voltages To Clock the Progress of Maillard Reactions in Real Time / Rizzi, George P. / http://dx.doi.org/10.1021/bk-2016-1237.ch002
• Controlling Amino Acid Degradations Produced by Reactive Carbonyls in Foods: A Review on the Role of Reaction Conditions for the Preferential Formation of either Flavors or Potentially Toxic Compounds as a Consequence of Carbonyl-Amine Reactions / Hidalgo, Francisco J.; Zamora, Rosario / http://dx.doi.org/10.1021/bk-2016-1237.ch003
• Reducing the Acrylamide-Forming Potential of Wheat, Rye and Potato: A Review / Halford, Nigel G.; Curtis, Tanya Y. / http://dx.doi.org/10.1021/bk-2016-1237.ch004
• Characterization of Browning Formation in Orange Juice during Storage / Paravisini, Laurianne; Peterson, Devin G. / http://dx.doi.org/10.1021/bk-2016-1237.ch005
• A Three Dimensional Kinetic Model for the Formation of Acrylamide in French Fries with Variable Glucose and Fructose Content / Balagiannis, Dimitrios P., Department of Food and Nutritional Sciences, University of Reading, Whiteknights, Reading RG6 6AP, United Kingdom; Parker, Jane K., Department of Food and Nutritional Sciences, University of Reading, Whiteknights, Reading RG6 6AP, United Kingdom; Higley, Jeremy, ConAgra Foods, Six ConAgra Drive, Omaha, Nebraska 68102, United States; Henson, Tony, ConAgra Foods, Six ConAgra Drive, Omaha, Nebraska 68102, United States; Smith, Gordon, ConAgra Foods, Six ConAgra Drive, Omaha, Nebraska 68102, United States; Wedzicha, Bronislaw L., School of Food Science and Nutrition, University of Leeds, Leeds LS2 9JT, United Kingdom; Mottram, Donald S., Department of Food and Nutritional Sciences, University of Reading, Whiteknights, Reading RG6 6AP, United Kingdom / http://dx.doi.org/10.1021/bk-2016-1237.ch006
• The Maillard Reaction Product Nε-Carboxymethyl-L-Lysine Induces Heat Shock Proteins 72 and 90α via RAGE Interaction in HEK-293 Cells / Foth, Sebastian, German Research Center for Food Chemistry, Lise-Meitner-Straße 34, Freising, Germany; Holik, Ann-Katrin, Department for Nutritional and Physiological Chemistry, Faculty of Chemistry, University of Vienna, Althanstraße 14, 1090 Vienna, Austria; Somoza, Veronika, German Research Center for Food Chemistry, Lise-Meitner-Straße 34, Freising, Germany, Department for Nutritional and Physiological Chemistry, Faculty of Chemistry, University of Vienna, Althanstraße 14, 1090 Vienna, Austria / http://dx.doi.org/10.1021/bk-2016-1237.ch007
• Characterization of Key Aroma-Active Compounds in Raw and Roasted White Mustard Seeds (Sinapis alba L.) / Ortner, Eva; Schieberle, Peter; Granvogl, Michael / http://dx.doi.org/10.1021/bk-2016-1237.ch008
• Formation of Reactive Fragmentation Products during the Maillard Degradation of Reducing Sugars − A Review / Glomb, M. A.; Henning, C. / http://dx.doi.org/10.1021/bk-2016-1237.ch009
• Relationship between Alkylpyrazine and Acrylamide Formation in Potato Chips / Elmore, J. Stephen, Department of Food and Nutritional Sciences, University of Reading, Whiteknights, Reading RG6 6AP, United Kingdom; Snowden, Samuel, Department of Food and Nutritional Sciences, University of Reading, Whiteknights, Reading RG6 6AP, United Kingdom; Briddon, Adrian, AHDB Potato Council, Sutton Bridge Crop Storage Research, East Bank, Sutton Bridge, Spalding, Lincolnshire PE12 9YD, United Kingdom; Halford, Nigel G., Plant Biology and Crop Science Department, Rothamsted Research, Harpenden, Hertfordshire AL5 2JQ, United Kingdom; Mottram, Donald S., Department of Food and Nutritional Sciences, University of Reading, Whiteknights, Reading RG6 6AP, United Kingdom / http://dx.doi.org/10.1021/bk-2016-1237.ch010
• Editors’ Biographies / http://dx.doi.org/10.1021/bk-2016-1237.ot001

This book examines all aspects and applications of the Maillard reaction, including in cocoa, raw and roasted mustard seeds, oats, sugars, potato chips, wheat and rye.
(source: Nielsen Book Data)

• On the Role of Amadori Rearrangement Products as Precursors of Aroma-Active Strecker Aldehydes in Cocoa / Hartmann, Sandra; Schieberle, Peter / http://dx.doi.org/10.1021/bk-2016-1237.ch001
• Use of Galvanic Cell Voltages To Clock the Progress of Maillard Reactions in Real Time / Rizzi, George P. / http://dx.doi.org/10.1021/bk-2016-1237.ch002
• Controlling Amino Acid Degradations Produced by Reactive Carbonyls in Foods: A Review on the Role of Reaction Conditions for the Preferential Formation of either Flavors or Potentially Toxic Compounds as a Consequence of Carbonyl-Amine Reactions / Hidalgo, Francisco J.; Zamora, Rosario / http://dx.doi.org/10.1021/bk-2016-1237.ch003
• Reducing the Acrylamide-Forming Potential of Wheat, Rye and Potato: A Review / Halford, Nigel G.; Curtis, Tanya Y. / http://dx.doi.org/10.1021/bk-2016-1237.ch004
• Characterization of Browning Formation in Orange Juice during Storage / Paravisini, Laurianne; Peterson, Devin G. / http://dx.doi.org/10.1021/bk-2016-1237.ch005
• A Three Dimensional Kinetic Model for the Formation of Acrylamide in French Fries with Variable Glucose and Fructose Content / Balagiannis, Dimitrios P., Department of Food and Nutritional Sciences, University of Reading, Whiteknights, Reading RG6 6AP, United Kingdom; Parker, Jane K., Department of Food and Nutritional Sciences, University of Reading, Whiteknights, Reading RG6 6AP, United Kingdom; Higley, Jeremy, ConAgra Foods, Six ConAgra Drive, Omaha, Nebraska 68102, United States; Henson, Tony, ConAgra Foods, Six ConAgra Drive, Omaha, Nebraska 68102, United States; Smith, Gordon, ConAgra Foods, Six ConAgra Drive, Omaha, Nebraska 68102, United States; Wedzicha, Bronislaw L., School of Food Science and Nutrition, University of Leeds, Leeds LS2 9JT, United Kingdom; Mottram, Donald S., Department of Food and Nutritional Sciences, University of Reading, Whiteknights, Reading RG6 6AP, United Kingdom / http://dx.doi.org/10.1021/bk-2016-1237.ch006
• The Maillard Reaction Product Nε-Carboxymethyl-L-Lysine Induces Heat Shock Proteins 72 and 90α via RAGE Interaction in HEK-293 Cells / Foth, Sebastian, German Research Center for Food Chemistry, Lise-Meitner-Straße 34, Freising, Germany; Holik, Ann-Katrin, Department for Nutritional and Physiological Chemistry, Faculty of Chemistry, University of Vienna, Althanstraße 14, 1090 Vienna, Austria; Somoza, Veronika, German Research Center for Food Chemistry, Lise-Meitner-Straße 34, Freising, Germany, Department for Nutritional and Physiological Chemistry, Faculty of Chemistry, University of Vienna, Althanstraße 14, 1090 Vienna, Austria / http://dx.doi.org/10.1021/bk-2016-1237.ch007
• Characterization of Key Aroma-Active Compounds in Raw and Roasted White Mustard Seeds (Sinapis alba L.) / Ortner, Eva; Schieberle, Peter; Granvogl, Michael / http://dx.doi.org/10.1021/bk-2016-1237.ch008
• Formation of Reactive Fragmentation Products during the Maillard Degradation of Reducing Sugars − A Review / Glomb, M. A.; Henning, C. / http://dx.doi.org/10.1021/bk-2016-1237.ch009
• Relationship between Alkylpyrazine and Acrylamide Formation in Potato Chips / Elmore, J. Stephen, Department of Food and Nutritional Sciences, University of Reading, Whiteknights, Reading RG6 6AP, United Kingdom; Snowden, Samuel, Department of Food and Nutritional Sciences, University of Reading, Whiteknights, Reading RG6 6AP, United Kingdom; Briddon, Adrian, AHDB Potato Council, Sutton Bridge Crop Storage Research, East Bank, Sutton Bridge, Spalding, Lincolnshire PE12 9YD, United Kingdom; Halford, Nigel G., Plant Biology and Crop Science Department, Rothamsted Research, Harpenden, Hertfordshire AL5 2JQ, United Kingdom; Mottram, Donald S., Department of Food and Nutritional Sciences, University of Reading, Whiteknights, Reading RG6 6AP, United Kingdom / http://dx.doi.org/10.1021/bk-2016-1237.ch010
• Editors’ Biographies / http://dx.doi.org/10.1021/bk-2016-1237.ot001

This book examines all aspects and applications of the Maillard reaction, including in cocoa, raw and roasted mustard seeds, oats, sugars, potato chips, wheat and rye.
(source: Nielsen Book Data)

• 1. Additions to alkenes, alkynes, and carbonyl compounds / authors, R. Ballini [and 25 others]
• 2. Alkenations, cross couplings, insertions, substitutions, and halomethylations / authors, R. Ballini [and 33 others].

• Contributors xi Preface xiii
• 1 Amine-Catalyzed Cascade Reactions 1 Aiguo Song and Wei Wang 1.1 Introduction, 2 1.2 Enamine-Activated Cascade Reactions, 3 1.2.1 Enamine Enamine Cascades, 3 1.2.2 Enamine Iminium Cascades, 8 1.2.3 Enamine Catalysis Cyclization, 19 1.3 Iminium-Initiated Cascade Reactions, 21 1.3.1 Design of Iminium Enamine Cascade Reactions, 21 1.3.2 Iminium-Activated Diels Alder Reactions, 22 1.3.3 Iminium-Activated Sequential [4 + 2] Reactions, 24 1.3.4 Iminium-Activated [3 + 2] Reactions, 25 1.3.5 Iminium-Activated Sequential [3 + 2] Reactions, 27 1.3.6 Iminium-Activated [2 + 1] Reactions, 30 1.3.7 Iminium-Activated Multicomponent Reactions, 35 1.3.8 Iminium-Activated [3 + 3] Reactions, 37 1.4 Cycle-Specific Catalysis Cascades, 42 1.5 Other Strategies, 45 1.6 Summary and Outlook, 46 References, 46
• 2 Bronsted Acid Catalyzed Cascade Reactions 53 Jun Jiang and Liu-Zhu Gong 2.1 Introduction, 54 2.2 Protonic Acid Catalyzed Cascade Reactions, 55 2.2.1 Mannich Reaction, 55 2.2.2 Pictect Spengler Reaction, 56 2.2.3 Biginelli Reaction, 58 2.2.4 Povarov Reaction, 59 2.2.5 Reduction Reaction, 60 2.2.6 1,3-Dipolar Cycloaddition, 61 2.2.7 Darzen Reaction, 65 2.2.8 Acyclic Aminal and Hemiaminal Synthesis, 66 2.2.9 Rearrangement Reaction, 67 2.2.10 a, b-Unsaturated Imine-Involved Cyclization Reaction, 69 2.2.11 Alkylation Reaction, 69 2.2.12 Desymmetrization Reaction, 70 2.2.13 Halocyclization, 71 2.2.14 Redox Reaction, 72 2.2.15 Isocyanide-Involved Multicomponent Reaction, 73 2.2.16 Other Protonic Acid Catalyzed Cascade Reactions, 75 2.3 Chiral Thiourea (Urea) Catalyzed Cascade Reactions, 75 2.3.1 Neutral Activation, 76 2.3.2 Anion-Binding Catalysis, 99 2.4 Bronsted Acid and Transition Metal Cooperatively Catalyzed Cascade Reactions, 104 2.4.1 Dual Catalysis, 105 2.4.2 Cascade Catalysis, 108 2.5 Conclusions, 116 References, 117
• 3 Application of Organocatalytic Cascade Reactions in Natural Product Synthesis and Drug Discovery 123 Yao Wang and Peng-Fei Xu 3.1 Introduction, 123 3.2 Amine-Catalyzed Cascade Reactions in Natural Product Synthesis, 125 3.2.1 Iminium-Ion-Catalyzed Cascade Reactions in Natural Product Synthesis, 125 3.2.2 Cycle-Specific Cascade Catalysis in Natural Product Synthesis, 129 3.3 Bronsted Acid Catalyzed Cascade Reactions in Natural Product Synthesis, 137 3.4 Bifunctional Base/Bronsted Acid Catalyzed Cascade Reactions in Natural Product Synthesis, 139 3.5 Summary and Outlook, 140 References, 142
• 4 Gold-Catalyzed Cascade Reactions 145 Yanzhao Wang and Liming Zhang 4.1 Introduction, 145 4.2 Cascade Reactions of Alkynes, 147 4.2.1 Cascade Reactions of Enynes, 147 4.2.2 Cascade Reactions of Propargyl Carboxylates, 156 4.2.3 Cascade Reactions of ortho-Substituted Arylalkynes, 161 4.2.4 Cascade Reactions of Other Alkynes, 165 4.3 Cascade Reactions of Allenes, 170 4.4 Cascade Reactions of Alkenes and Cyclopropenes, 173 4.5 Closing Remarks, 174 References, 174
• 5 Cascade Reactions Catalyzed by Ruthenium, Iron, Iridium, Rhodium, and Copper 179 Yanguang Wang and Ping Lu 5.1 Introduction, 179 5.2 Ruthenium-Catalyzed Transformations, 180 5.3 Iron-Catalyzed Transformations, 185 5.4 Iridium-Catalyzed Transformations, 191 5.5 Rhodium-Catalyzed Transformations, 194 5.6 Copper-Catalyzed Transformations, 202 5.7 Miscellaneous Catalytic Reactions, 215 5.8 Summary, 219 References, 219
• 6 Palladium-Catalyzed Cascade Reactions of Alkenes, Alkynes, and Allenes 225 Hongyin Gao and Junliang Zhang 6.1 Introduction, 226 6.2 Cascade Reactions Involving Alkenes, 226 6.2.1 Double Mizoroki Heck Reaction Cascade, 226 6.2.2 Cascade Heck Reaction/C-H Activation, 227 6.2.3 Cascade Heck Reaction/Reduction/Cyclization, 230 6.2.4 Cascade Heck Reaction/Carbonylation, 231 6.2.5 Cascade Heck Reaction/Suzuki Coupling, 232 6.2.6 Cascade Amino-/Oxopalladation/Carbopalladation Reaction, 234 6.3 Cascade Reactions Involving Alkynes, 237 6.3.1 Cascade Heck Reactions, 238 6.3.2 Cascade Heck/Suzuki Coupling, 238 6.3.3 Cationic Palladium(II)-Catalyzed Cascade Reactions, 239 6.3.4 Cascade Heck Reaction/Stille Coupling, 241 6.3.5 Cascade Heck/Sonogashira Coupling, 243 6.3.6 Cascade Sonogashira Coupling Cyclization, 244 6.3.7 Cascade Heck and C-H Bond Functionalization, 247 6.3.8 Cascade Reactions Initiated by Oxopalladation, 253 6.3.9 Cascade Reactions Initiated by Aminopalladation, 256 6.3.10 Cascade Reactions Initiated by Halopalladation or Acetoxypalladation, 259 6.3.11 Cascade Reactions of 2-(1-Alkynyl)-alk-2-en-1-ones, 263 6.3.12 Cascade Reactions of Propargylic Derivatives, 263 6.4 Cascade Reactions Involving Allenes, 264 6.4.1 Cascade Reactions of Monoallenes, 264 6.4.2 Cross-Coupling Cyclization of Two Different Allenes, 274 6.5 Summary and Outlook, 276 Acknowledgments, 277 References, 277
• 7 Use of Transition Metal Catalyzed Cascade Reactions in Natural Product Synthesis and Drug Discovery 283 Peng-Fei Xu and Hao Wei 7.1 Introduction, 283 7.2 Palladium-Catalyzed Cascade Reactions in Total Synthesis, 284 7.2.1 Cross-Coupling Reactions, 284 7.2.1.1 Heck Reaction, 284 7.2.1.2 Stille Reaction, 291 7.2.1.3 Suzuki Coupling Reaction, 297 7.2.2 Tsuji Trost Reaction, 301 7.2.3 Other Palladium-Catalyzed Cascade Reactions in Total Synthesis, 303 7.3 Ruthenium-Catalyzed Cascade Reactions in Total Synthesis, 305 7.4 Gold-and Platinum-Catalyzed Cascade Reactions in Organic Reactions, 318 7.5 Copper-and Rhodium-Catalyzed Cascade Reactions in Organic Synthesis, 322 7.6 Summary, 326 References, 326
• 8 Engineering Mono-and Multifunctional Nanocatalysts for Cascade Reactions 333 Hexing Li and Fang Zhang 8.1 Introduction, 334 8.2 Heterogeneous Monofunctional Nanocatalysts, 335 8.2.1 Metal-Based Monofunctional Nanocatalysts, 335 8.2.2 Metal Oxide Based Monofunctional Nanocatalysts, 340 8.2.3 Orgamometallic-Based Monofunctional Nanocatalysts, 340 8.2.4 Graphene Oxide Based Monofunctional Nanocatalysts, 343 8.3 Heterogeneous Multifunctional Nanocatalysts, 344 8.3.1 Acid Base Combined Multifunctional Nanocatalysts, 344 8.3.2 Metal Base Combined Multifunctional Nanocatalysts, 349 8.3.3 Organometallic Base Combined Multifunctional Nanocatalysts, 349 8.3.4 Binary Organometallic Based Multifunctional Nanocatalysts, 350 8.3.5 Binary Metal Based Multifunctional Nanocatalysts, 352 8.3.6 Metal Metal Oxide Combined Multifunctional Nanocatalysts, 353 8.3.7 Organocatalyst Acid Combined Multifunctional Nanocatalysts, 353 8.3.8 Acid Base Metal Combined Multifunctional Nanocatalyst, 356 8.3.9 Triple Enzyme Based Multifunctional Nanocatalysts, 356 8.4 Conclusions and Perspectives, 359 References, 360
• 9 Multiple-Catalyst-Promoted Cascade Reactions 363 Peng-Fei Xu and Jun-Bing Ling 9.1 Introduction, 363 9.2 Multiple Metal Catalyst Promoted Cascade Reactions, 364 9.2.1 Catalytic Systems Involving Palladium, 365 9.2.2 Catalytic Systems Involving Other Metals, 368 9.3 Multiple Organocatalyst Promoted Cascade Reactions, 370 9.3.1 Catalytic Systems Combining Multiple Amine Catalysts, 371 9.3.2 Catalytic Systems Combining Amine Catalysts and Nucleophilic Carbenes, 380 9.3.3 Catalytic Systems Combining Amine and Hydrogen-Bonding Donor Catalysts, 385 9.3.4 Catalytic Systems Involving Other Organocatalysts, 390 9.4 Metal/Organic Binary Catalytic System Promoted Cascade Reactions, 394 9.4.1 Catalytic Systems Combining Secondary Amine and Metal Catalysts, 394 9.4.2 Catalytic Systems Combining Bronsted Acid and Metal Catalysts, 404 9.4.3 Catalytic Systems Combining Hydrogen-Bonding Donor and Metal Catalysts, 411 9.4.4 Catalytic Systems Combining Other Organo-and Metal Catalysts, 413 9.5 Summary and Outlook, 415 References, 415 Index 419.
• (source: Nielsen Book Data)

The development of catalytic versions of cascade reactions has become one of the most active and burgeoning reaction areas in organic synthesis. Covering both organocatalysis and transition-metal catalysis for these reactions, Catalytic Cascade Reactions illustrates the versatility and application of cascade reactions for synthesizing valuable compounds, such as drugs and natural products. Highlighting catalytic versus non-catalytic reactions, an important shift in academic and industry practice, the text brings chemists and the organic synthesis community up to speed on the many recent advances in the field.
(source: Nielsen Book Data)

• Preface
• Re-Interpretation of Fluidization
• The Catalytic Combustion of Soot
• Catalytic Combustion Over Cheaper Metal Oxides
• Catalytic Combustion: Kinetics & Reactor Design
• Catalytic Combustion of Methane Over Ceria-Zirconia Catalysts
• Controlled Combustion on Structure Catalysts
• Combustion of Diesel Soot: Supported Alkaline Nitrate Catalysts
• Catalytic Process for Hydrogen Production
• Index.
• (source: Nielsen Book Data)

Catalytic combustion has been developed as a method of promoting efficient combustion over a wide range of air-to-fuel ratios with a minimum pollutant formation at low temperatures as compared to conventional flame combustion. In this book, the authors present current research in the study of catalytic combustion including commercial and industrial research in combustion and fluidisation engineering; the catalytic combustion of soot; using metal oxides to improve catalytic efficiency; catalytic combustion in the removal of pollutants from exhaust gases and in the energy conversion field and the catalytic combustion of methane using ceria-zirconia.
(source: Nielsen Book Data)

• List of contributing authors
• About the editor
• Preface
• Contents
• 1 Catalysis in Multifunctional Reactors
• 1.1 Introduction
• 1.2 Reactive Distillation (RD)
• 1.2.1 Homogeneous catalysis
• 1.2.2 Heterogeneous catalysis
• 1.2.3 Catalysts used in reactive distillation
• 1.3 Reactive Stripping
• 1.3.1 Esterification
• 1.3.2 Aqueous phase reforming (APR) of sorbitol
• 1.3.3 Dehydration of xylose to furfural
• 1.3.4 Catalytic exchange of hydrogen isotopes
• 1.4 Catalytic membrane reactors
• 1.4.1 Biodiesel production
• 1.4.2 Dehydrogenation.

• 1.4.3 Oxidative coupling of methane (OCM)
• 1.4.4 Partial oxidation of methane to synthesis gas
• 1.5 Chromatographic Reactor
• 1.5.1 Concept of a Chromatographic Reactor
• 1.5.2 Types of Chromatographic Reactor
• 1.5.3 Applications of Liquid Chromatographic Reactor
• 1.6 Summary
• 2 Biocatalytic membrane reactors (BMR)
• 2.1 Introduction
• 2.2 Role of membrane in biocatalytic membrane reactors (BMRs)
• 2.3 Membrane separation reactors (MSRs)
• 2.3.1 Concept
• 2.3.2 Application
• 2.4 Membrane aeration bioreactors (MABR).

• 2.5 Extractive membrane bioreactors (EMBR)
• 2.5.1 Concept
• 2.5.2 Application
• 2.6 Enzyme immobilization techniques in membrane reactor systems
• 2.6.1 Physical adsorption
• 2.6.2 Entrapment
• 2.6.3 Cross-linking
• 2.6.4 Encapsulation
• 2.6.5 Segregation by membranes
• 2.6.6 Covalent binding
• 2.7 Laminated (multilayer) enzyme membrane reactors
• 2.7.1 Concept
• 2.7.2 Application
• 2.8 Biphasic (multiphase) membrane bioreactors
• 2.8.1 Concept
• 2.8.2 Application.

• 2.9 Phase transfer catalysis in multiphase membrane reactors
• 2.9.1 Concept
• 2.9.2 Application
• 2.10 Conclusions
• 3 Metallic nanoparticles made in flow and their catalytic applications in micro-flow reactors for organic synthesis
• 3.1 Introduction
• 3.2 Metal nanoparticles in a microfluidic reactor
• 3.2.1 Gold
• 3.2.2 Silver
• 3.2.3 Palladium
• 3.2.4 Platinum
• 3.2.5 Copper
• 3.3 Metal nanoparticles in a millifluidic reactor
• 3.4 Outlook
• metal nanoparticles generated in flow and used in situ
• 3.5 Conclusions.

• 4 Application of multi-objective optimization in the design and operation of industrial catalytic reactors and processes
• 4.1 Introduction
• 4.2 Multi-objective optimization
• 4.2.1 Concept of multi-objective optimization
• 4.2.2 MOO methods
• 4.3 No-preference methods
• 4.3.1 Neutral compromised solution
• 4.4 A priori methods
• 4.4.1 Method of Weighted global criterion
• 4.4.2 Lexicographic method
• 4.4.3 Goal Programming (GP)
• 4.5 A posteriori methods
• 4.5.1 f-Constraint Method
• 4.6 Interactive methods
• 4.7 Genetic algorithms.

Catalytic Reactors presents several key aspects of reactor design in Chemical and Process Engineering. Starting with the fundamental science across a broad interdisciplinary field, this graduate level textbook offers a concise overview on reactor and process design for students, scientists and practitioners new to the field. This book aims to collate into a comprehensive and well-informed work of leading researchers from north America, western Europe and south-east Asia. The editor and international experts discuss state-of-the-art applications of multifunctional reactors, biocatalytic membrane reactors, micro-flow reactors, industrial catalytic reactors, micro trickle bed reactors and multiphase catalytic reactors. The use of catalytic reactor technology is essential for the economic viability of the chemical manufacturing industry. The importance of Chemical and Process Engineering and efficient design of reactors are another focus of the book. Especially the combination of advantages from both catalysis and chemical reaction technology for optimization and intensification as essential factors in the future development of reactors and processes are discussed. Furthermore, options that can drastically influence reaction processes, e.g. choice of catalysts, alternative reaction pathways, mass and heat transfer effects, flow regimes and inherent design of catalytic reactors are reviewed in detail. Focuses on the state-of-the-art applications of catalytic reactors and optimization in the design and operation of industrial catalytic reactors Insights into transfer of knowledge from laboratory science to industry For students and researchers in Chemical and Mechanical Engineering, Chemistry, Industrial Catalysis and practising Engineers.
(source: Nielsen Book Data)

• Synthesis in the Key of Catellani: Norbornene-Mediated ortho C-H Functionalization.- Mechanistic Considerations in the Development and Use of Azine, Diazine and Azole N-Oxides in Palladium-Catalyzed Direct Arylation.- Palladium and Copper Catalysis in Regioselective, Intermolecular Coupling of C-H and C-Hal Bonds.- Pd-Catalyzed C-H Bond Functionalization on the Indole and Pyrrole Nucleus.- Remote C-H Activation via Through-Space Palladium and Rhodium Migrations.- Palladium-Catalyzed Aryl-Aryl Bond Formation Through Double C-H Activation.- Palladium-Catalyzed Allylic C-H Bond Functionalization of Olefins.- Ruthenium-Catalyzed Direct Arylations Through C-H Bond Cleavages.- Rhodium-Catalyzed C-H Bond Arylation of Arenes.- Cross-Dehydrogenative Coupling Reactions of sp3-Hybridized C-H Bonds.- Functionalization of Carbon-Hydrogen Bonds Through Transition Metal Carbenoid Insertion.- Metal-Catalyzed Oxidations of C-H to C-N Bonds.
• (source: Nielsen Book Data)

Table of Contents - Synthesis in the Key of Catellani: Norbornene-Mediated ortho C-H Functionalization - Mechanistic Considerations in the Development and Use of Azine, Diazine and Azole N-Oxides in Palladium-Catalyzed Direct Arylation - Palladium and Copper Catalysis in Regioselective, Intermolecular Coupling of C-H and C-Hal Bonds - Pd-Catalyzed C-H Bond Functionalization on the Indole and Pyrrole Nucleus - Remote C-H Activation via Through-Space Palladium and Rhodium Migrations - Palladium-Catalyzed Aryl-Aryl Bond Formation Through Double C-H Activation - Palladium-Catalyzed Allylic C-H Bond Functionalization of Olefins - Ruthenium-Catalyzed Direct Arylations Through C-H Bond Cleavages - Rhodium-Catalyzed C-H Bond Arylationof Arenes - Cross-Dehydrogenative Coupling Reactions of sp3-Hybridized C-H Bonds - Functionalization of Carbon-Hydrogen Bonds Through Transition Metal Carbenoid Insertion - Metal-Catalyzed Oxidations of C-H to C-N Bonds.
(source: Nielsen Book Data)

A method is described for the calculation of the equilibrium composition of the carbon-hydrogen-oxygen-nitrogen system in the temperature range from 2000 to 5000 degrees K. Charts are provided for the estimation and progressive adjustment of two independent variables on which the calculations are based. Additional charts are provided for the graphical calculation of the composition.

• 1. Introduction (Societal Role of Food Processing: Envisaging the Future)
• 2. Denaturation of Proteins, Generation of Bioactive Peptides, Alterations of Amino Acids
• 3. Oxidation of Proteins
• 4. Oxidation of Lipids
• 5. Alterations of Polysaccharides, Starch Gelatinization and Retrogradation
• 6. The Maillard Reaction and Caramelization
• 7. Alterations of Natural Pigments
• 8. Degradation of Vitamins
• 9. Generation of Process-derived Flavors
• 10. Formation of Processing-induced Toxicants
• 11. Generation and Alteration of Other Bioactive Compounds
• 12. Reactions and Interactions of Food Additives
• 13. Measuring Chemical Deterioration of Foods.
• (source: Nielsen Book Data)

Chemical Changes During Processing and Storage of Foods: Implications for Food Quality and Human Health presents a comprehensive and updated discussion of the major chemical changes occurring in foods during processing and storage, the mechanisms and influencing factors involved, and their effects on food quality, shelf-life, food safety, and health. Food components undergo chemical reactions and interactions that produce both positive and negative consequences. This book brings together classical and recent knowledge to deliver a deeper understanding of this topic so that desirable alterations can be enhanced and undesirable changes avoided or reduced. Chemical Changes During Processing and Storage of Foods provides researchers in the fields of food science, nutrition, public health, medical sciences, food security, biochemistry, pharmacy, chemistry, chemical engineering, and agronomy with a strong knowledge to support their endeavors to improve the food we consume. It will also benefit undergraduate and graduate students working on a variety of disciplines in food chemistry.
(source: Nielsen Book Data)

• From Thermal Activation to Tunneling. One--Dimensional Models. Two--Dimensional Tunneling. Chemical Dynamics in the Presence of a Heat Bath. Hydrogen Transfer. Tunneling Rotation. Vibration--Rotation Tunneling Spectroscopy of Molecules and Dimers. Heavy Particle Transfer. Conclusion. References. Indexes.
• (source: Nielsen Book Data)

The first unified treatment of experimental and theoretical advances in low-temperature chemistry Chemical Dynamics at Low Temperatures is a landmark publication. For the first time, the cumulative results of twenty years of experimental and theoretical research into low-temperature chemistry have been collected and presented in a unified treatment. The result is a text/reference that both offers an overview of the subject and contains sufficient detail to guide practicing researchers toward fertile ground for future research. Topics covered include: * Developmental history* Formulation of general problems and the main approximations used to solve them* Specific features of tunneling chemical dynamics* One-dimensional tunneling in the path integral formalism* Special problems of two- and multidimensional tunneling* An extended presentation of pertinent experimental results.
(source: Nielsen Book Data)

• Chemical Equilibrium and Reaction Models: Applications and Future Trends
• Applications of a Pitzer Equations-based Model to Hypersaline Solutions
• Application of Chemical Equilibrium Modeling to Leachates from Coal Ash
• Chemical Equilibrium Models: Applications to Plant Nutrition Research
• Validation of Geochemical Equilibrium Models
• Use of MINTEQA2 for Teaching Soil Chemistry
• MINTEQA2/PRODEFA2--A Geochemical Speciation Model and Interactive Preprocessor
• GEOCHEM-PC--A Chemical Speciation Program for IBM and Compatible Personal Computers
• SOILCHEM on the Macintosh
• C Salt--A Chemical Equilibrium Model for Multicomponent Solutions
• The Development and Application of Aqueous Thermodynamic Models: The Specific Ion-Interaction Approach
• ALCHEMI: A Chemical Equilibrium Model to Assess the Acid-Base Chemistry and Speciation of Aluminum in Dilute Solutions
• The CHESS Model for Calculating Chemical Equilibria in Soils and Solutions
• GMIN A Computerized Chemical Equilibrium Program Using a Constrained Minimization of the Gibbs Free Energy: Summary Report
• An Overview of LEACHM: A Process Based Model of Water and Solute Movement Transformations Plant Uptake and Chemical Reactions in the Unsaturated Zone
• Carbonate Chemistry in Computer Programs and Application to Soil Chemistry
• The Selection of Critical Stability Constants
• Adsorption Models Incorporated into Chemical Equilibrium Models
• The Application of Chemical Equilibrium in Solute Transport Models
• Front Matter

Chemical equilibrium of ablation materials including condensed species.

• Magentic scenario of chemical reaction
• magnetic interactions in chemical reactions
• magnetic effects in chemical reactions
• chemically induced radio-frequency emission
• reaction yield detected magnetic resonance - RYDMR
• RYDMR in solids
• RYDMR in liquid solutions
• RYDMR in photosynthetic systems
• radio-induced magnetic isotope effect
• microwave-stimulated nuclear polarization
• coherence in spin dynamics and chemical reactivity
• on the action of electromagnetic waves on biological processes.
• (source: Nielsen Book Data)

Covering the fields of chemical kinetics, theoretical chemistry and metabolite chemistry, this work considers the chemical generation and reception of radio- and microwaves.
(source: Nielsen Book Data)
An overview of spin chemistry and chemical physics. This text should be useful reading for chemical physicists, physical organic chemists, materials scientists, and radio- and biophysicists.
(source: Nielsen Book Data)

• Preface
• 1. Elementary 1
• .1. Rate of Reaction 1
• .2. Rate Constant 1
• .3. Order and Molecularity 1
• .4. Rate Equations 1
• .5. Half-life of a Reaction 1
• .6. Zero Order Reactions 1
• .7. First Order Reactions 1
• .8. Radioactive Decay as a First Order Phenomenon 1
• .9. Second Order Reactions 1
• .10. Third Order Reactions 1
• .11. Determination of Order of Reaction 1
• .12. Experimental Methods of Chemical Kinetics Exercises
• 2. Temperature Effect on Reaction Rate 2
• .1. Derivation of Arrhenius Equation 2
• .2. Experimental Determination of Energy of Activation and Arrhenius Factor 2
• .3. Potential Energy Surface 2
• .4. Significance of Energy of Activation Exercises
• 3. Complex Reactions 3
• .1. Reversible Reactions 3
• .2. Parallel Reactions 3
• .3. Consecutive Reactions 3
• .4. Steady-State Treatment 3
• .5. Chain Reactions Reactions Exercises
• 4. Theories of Reaction Rate 4
• .1. Equilibrium and Rate of Reaction 4
• .2. Partition Functions and Statistical Mechanics of Chemical Equilibrium 4
• .3. Partition Functions and Activated Complex 4
• .4. Collision Theory 4
• .5. Transition State Theory 4
• .6. Unimolecular Reactions and the Collision Theory 4
• .7. Kinetic and Thermodynamic Control 4
• .8. Hammond's Postulate 4
• .9. Probing of the Transition State Exercises
• 5. Kinetics of Some Special Reactions 5
• .1. Kinetics of Photochemical Reactions 5
• .2. Oscillatory Reactions 5
• .3. Kinetics of Polymerization 5
• .4. Kinetics of Solid State Reactions 5
• .5. Electron Transfer Reactions Exercises
• 6. Kinetics of Catalyzed Reactions 6
• .1. Catalysis 6
• .2. Theories of Catalysis 6
• .3. Characteristics of Catalytic Reactions 6
• .4. Mechanism of Catalysis 6
• .5. Activation Energies of Catalyzed Reactions 6
• .6. Acid Base Catalysis 6
• .7. Enzyme Catalysis 6
• .8. Influence of pH 6
• .9. Heterogeneous Catalysis 6
• .10. Micellar Catalysis 6
• .11. Phase Transfer Catalysis 6
• .12. Kinetics of Inhibition Exercises
• 7. Fast Reactions 7
• .1. Introduction 7
• .2. Flow Techniques 7
• .3. Relaxation Method 7
• .4. Shock Tubes 7
• .5. Flash Photolysis 7
• .6. ESR Spectroscopic Technique 7
• .7. NMR Spectroscopic Techniques Exercises
• 8. Reactions in Solutions 8
• .1. Introduction 8
• .2. Theory of Absolute Reaction Rate 8
• .3. Influence of Internal Pressure 8
• .4. Influence of Solvation 8
• .5. Reactions between Ions 8
• .6. Entropy Change 8
• .7. Influence of Ionic Strength (Salt Effect) 8
• .8. Secondary Salt Effect 8
• .9. Reactions between the Dipoles 8
• .10. Kinetic Isotope Effect 8
• .11. Solvent Isotope Effect 8
• .12. Hemmett Equation 8
• .13. Linear Free Energy Relationship 8
• .14. The Taft Equation 8
• .15. Compensation Effect Exercises
• 9. Reaction Dynamics 9
• .1. Molecular Reaction Dynamics 9
• .2. Microscopic-Macroscopic Relation 9
• .3. Reaction Rate and Rate Constant 9
• .4. Distribution of Velocities of Molecules 9
• .5. Rate of Reaction for Collisions with a Distribution of Relative Speeds 9
• .6. Collision Cross Sections 9
• .7. Activation Energy 9
• .8. Potential Energy Surface 9
• .9. Classical Trajectory Calculations 9
• .10. Potential Energy Surface and Classical Dynamics 9
• .11. Disposal of Excess Energy 9
• .12. Influence of Rotational Energy 9
• .13. Experimental Chemical Dynamics Suggested Readings Index.
• (source: Nielsen Book Data)

Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: Detailed stereochemical discussions of reaction steps Classical theory based calculations of state-to-state rate constants A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.
(source: Nielsen Book Data)

"This text teaches the principles underlying modern chemical kinetics in a clear, direct fashion, using several examples to enhance basic understanding. It features solutions to selected problems, with separate sections and appendices that cover more technical applications. Each chapter is self-contained and features an introduction that identifies its basic goals, their significance, and a general plan for their achievement. This text's important aims are to demonstrate that the basic kinetic principles are essential to the solution of modern chemical problems, and to show how the underlying question — 'How do chemical reactions occur?' — leads to exciting, vibrant fields of modern research. The first aim is achieved by using relevant examples in presenting the basic material, and the second is attained by inclusion of chapters on surface processes, photochemistry, and reaction dynamics."--Provided by publisher.

• 1 Kinetic Theory of Gases1.1 Introduction1.2 Pressure of an Ideal Gas1.3 Temperature and Energy1.4 Distributions, Mean Values and Distribution Functions1.5 The Maxwell Distribution of Speeds1.6 Energy Distributions1.7 Collisions: Mean Free Path and Collision Number2 The Rates of Chemical Reactions2.1 Introduction2.2 Empirical Observations: Measurement of Reaction Rates2.3 Rates of Reactions: Differential and Integrated Rate Laws2.4 Reaction Mechanisms2.5 Homogeneous Catalysis2.6 Free Radical Reactions: Chains and Branched Chains2.7 Determining Mechanisms from Rate Laws3 Theories of Chemical Reactions3.1 Introduction3.2 Potential Energy Surfaces3.3 Collision Theory3.4 Activated Complex Theory (ACT)3.5 Thermodynamic Interpretation of ACT4 Transport Properties4.1 Introduction4.2 The Functional Form of the Transport Equations4.3 The Microscopic Basis for the Transport Laws4.4 Thermal Conductivity4.5 Viscosity4.6 Diffusion4.7 Time-Dependent Transport5 Reactions in Liquid Solutions5.1 Introduction 5.2 The Cage Effect, Friction, and Diffusion Control5.3 Reactions of Charged Species in Solution: Ionic Strength and Electron Transfer5.4 Experimental Techniques6 Reactions at Solid Surfaces6.1 Introduction6.2 Adsorption and Desorption6.3 Reactions at Surfaces: Catalysis6.4 Surface Diffusion6.5 Advanced Topics in Surface Reactions7 Photochemistry7.1 Introduction7.2 Absorption and Emission of Light7.3 Photophysical Processes7.4 Atmospheric Chemistry7.5 Photodissociation Dynamics8 Molecular Reaction Dynamics8.1 Introduction8.2 A Molecular Dynamics Example8.3 Molecular Collisions:A Detailed Look8.4 Molecular Scattering8.5 Potential Energy Surfaces8.6 Molecular Energy Transfer8.7 Molecular Reaction Dynamics: Some Examples.
• (source: Nielsen Book Data)

"Chemical Kinetics and Reaction Dynamics" is a modern textbook for advanced courses. Houston emphasizes the essential principles of kinetics and dynamics through relevant examples and current research, providing students with a clear, basic understanding.
(source: Nielsen Book Data)

• Preface
• 1. Elementary 1
• .1. Rate of Reaction 1
• .2. Rate Constant 1
• .3. Order and Molecularity 1
• .4. Rate Equations 1
• .5. Half-life of a Reaction 1
• .6. Zero Order Reactions 1
• .7. First Order Reactions 1
• .8. Radioactive Decay as a First Order Phenomenon 1
• .9. Second Order Reactions 1
• .10. Third Order Reactions 1
• .11. Determination of Order of Reaction 1
• .12. Experimental Methods of Chemical Kinetics Exercises
• 2. Temperature Effect on Reaction Rate 2
• .1. Derivation of Arrhenius Equation 2
• .2. Experimental Determination of Energy of Activation and Arrhenius Factor 2
• .3. Potential Energy Surface 2
• .4. Significance of Energy of Activation Exercises
• 3. Complex Reactions 3
• .1. Reversible Reactions 3
• .2. Parallel Reactions 3
• .3. Consecutive Reactions 3
• .4. Steady-State Treatment 3
• .5. Chain Reactions Reactions Exercises
• 4. Theories of Reaction Rate 4
• .1. Equilibrium and Rate of Reaction 4
• .2. Partition Functions and Statistical Mechanics of Chemical Equilibrium 4
• .3. Partition Functions and Activated Complex 4
• .4. Collision Theory 4
• .5. Transition State Theory 4
• .6. Unimolecular Reactions and the Collision Theory 4
• .7. Kinetic and Thermodynamic Control 4
• .8. Hammond's Postulate 4
• .9. Probing of the Transition State Exercises
• 5. Kinetics of Some Special Reactions 5
• .1. Kinetics of Photochemical Reactions 5
• .2. Oscillatory Reactions 5
• .3. Kinetics of Polymerization 5
• .4. Kinetics of Solid State Reactions 5
• .5. Electron Transfer Reactions Exercises
• 6. Kinetics of Catalyzed Reactions 6
• .1. Catalysis 6
• .2. Theories of Catalysis 6
• .3. Characteristics of Catalytic Reactions 6
• .4. Mechanism of Catalysis 6
• .5. Activation Energies of Catalyzed Reactions 6
• .6. Acid Base Catalysis 6
• .7. Enzyme Catalysis 6
• .8. Influence of pH 6
• .9. Heterogeneous Catalysis 6
• .10. Micellar Catalysis 6
• .11. Phase Transfer Catalysis 6
• .12. Kinetics of Inhibition Exercises
• 7. Fast Reactions 7
• .1. Introduction 7
• .2. Flow Techniques 7
• .3. Relaxation Method 7
• .4. Shock Tubes 7
• .5. Flash Photolysis 7
• .6. ESR Spectroscopic Technique 7
• .7. NMR Spectroscopic Techniques Exercises
• 8. Reactions in Solutions 8
• .1. Introduction 8
• .2. Theory of Absolute Reaction Rate 8
• .3. Influence of Internal Pressure 8
• .4. Influence of Solvation 8
• .5. Reactions between Ions 8
• .6. Entropy Change 8
• .7. Influence of Ionic Strength (Salt Effect) 8
• .8. Secondary Salt Effect 8
• .9. Reactions between the Dipoles 8
• .10. Kinetic Isotope Effect 8
• .11. Solvent Isotope Effect 8
• .12. Hemmett Equation 8
• .13. Linear Free Energy Relationship 8
• .14. The Taft Equation 8
• .15. Compensation Effect Exercises
• 9. Reaction Dynamics 9
• .1. Molecular Reaction Dynamics 9
• .2. Microscopic-Macroscopic Relation 9
• .3. Reaction Rate and Rate Constant 9
• .4. Distribution of Velocities of Molecules 9
• .5. Rate of Reaction for Collisions with a Distribution of Relative Speeds 9
• .6. Collision Cross Sections 9
• .7. Activation Energy 9
• .8. Potential Energy Surface 9
• .9. Classical Trajectory Calculations 9
• .10. Potential Energy Surface and Classical Dynamics 9
• .11. Disposal of Excess Energy 9
• .12. Influence of Rotational Energy 9
• .13. Experimental Chemical Dynamics Suggested Readings Index.
• (source: Nielsen Book Data)

Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: Detailed stereochemical discussions of reaction steps Classical theory based calculations of state-to-state rate constants A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.
(source: Nielsen Book Data)

• Front Cover; Chemical Kinetics of Gas Reactions; Copyright Page; Table of Contents; Foreword;
• CHAPTER 1. GENERAL KINETIC RULES FOR CHEMICAL REACTIONS; 1. Rate of reaction. Kinetic types of simple reactions; 2. Chemical equilibrium; 3. Complex reactions;
• CHAPTER 2. CHEMICAL MECHANISM OF REACTIONS; 4. Experimental methods for studying chemical reaction mechanisms ; 5. Intermediate substances; 6. Reactions of free atoms; 7. Free radical reactions;
• CHAPTER 3. THEORY OF ELEMENTARY CHEMICAL PROCESSES; 8. Elements of the statistical theory of elementary chemical processes

• 9. Gas-kinetic collision theory10. Potential energy of a system of atoms; 11. Qualitative consideration of energy changes in three-atom reactions; 12. Transition-state (activated-complex) method; 13. Quantum-mechanical treatment of the rate of elementary processes;
• CHAPTER 4. BIMOLECULAR REACTIONS; 14. Addition reactions A +B = AB; 15. Metathetical or transfer reactions A + BC = AB + C, and exchange (double transfer) reactions AB + CD = AC + BD; 16. Bimolecular dissociation reactions; 17. Dependence of the rate of transfer reactions on the structure of the reacting molecules

• CHAPTER 5. UNIMOLECULAR AND TERMOLECULAR REACTIONS18. Theory of unimolecular reactions; 19. Experimental data; 20. Termolecular reactions;
• CHAPTER 6. ENERGY CONVERSION DURING MOLECULAR COLLISIONS; 21. Transformation of translational and rotational energy; 22. Transformation of vibrational energy;
• CHAPTER 7. PHOTOCHEMICAL REACTIONS; 23. Photochemical activation of molecules; 24. Secondary processes during photochemical reactions; 25. Photochemical sensitization; 26. Quantum yield of photochemical reactions; 27. Temperature coefficient and mechanism of photochemical reactions

• CHAPTER 8. CHEMICAL REACTIONS IN ELECTRICAL DISCHARGE28. Activation in electrical discharge; 29. Activation by bombardment with fast ions and atoms; 30. Types of electrical discharge; 31. Chemical reactions in electrical discharge and yields of these reactions; 32. Chemical reactions taking place under the action of penetrating radiations (radiation-induced chemical reactions);
• CHAPTER 9. CHAIN REACTIONS; 33. Simple chain reactions; 34. Formal kinetics of chain reactions; 35. Chain initiation; 36. Chain breaking; 37. Branching chains; 38. Macroscopic stages in chain reactions

• 39. The combustion of hydrogen as a model reaction
• CHAPTER 10. COMBUSTION PROCESSES; 40. Spontaneous combustion; 41. Flames burning without preliminary mixing of the gases; 42. Flames burning in previously prepared mixtures; 43. Flame propagation; 44. Detonation; References; Name index; Subject index

Chemical Kinetics of Gas Reactions explores the advances in gas kinetics and thermal, photochemical, electrical discharge, and radiation chemical reactions. This book is composed of 10 chapters, and begins with the presentation of general kinetic rules for simple and complex chemical reactions. The next chapters deal with the experimental methods for evaluating chemical reaction mechanisms and some theories of elementary chemical processes. These topics are followed by discussions on certain class of chemical reactions, including unimolecular, bimolecular, and termolecular reactions. The rema.

• Preface.List of Symbols and Abbreviations.1. A MULTI-FACETED, HIERARCHIC ANALYSIS OF CHEMICAL MICRO PROCESS TECHNOLOGY.1.1 Micro Reactor Differentiation and Process Intensification.1.2 Consequences of Chemical Micro Processing.1.3 Physical and Chemical Fundaments.1.4 Impact on Chemical Engineering.1.5 Impact on Process Engineering.1.6 Impact on Process Results.1.7 Impact on Society and Ecology.1.8 Impact on Economy.1.9 Application Fields and Markets of Micro Reactors.2. MODELLING AND SIMULATION OF MICRO REACTORS.2.1 Introduction.2.2 Flow Phenomena on the Micro Scale.2.3 Methods of Computational Fluid Dynamics.2.4 Flow Distributions.2.5 Heat Transfer.2.6 Mass Transfer and Mixing.2.7 Chemical Kinetics.2.8 Free Surface Flow.2.9 Transport in Porous Media.3. GAS-PHASE REACTIONS.3.1 Catalyst Coatings in Micro Channels: Techniques and Analytical Characterization.3.2 Micro Reactors for Gas-Phase Reactions.3.3 Oxidations.3.4 Hydrogenations.3.5 Dehydrogenations.3.6 Substitutions.3.7 Eliminations.3.8 Additions and Coupling Reactions.4. LIQUID- AND LIQUID/LIQUID-PHASE REACTIONS.
  
• gt
• Micro Reactors for Liquid-Phase and Liquid/Liquid-Phase Recations 4.1 Micro Reactors for Liquid-phase and Liquid/Liquid-phase Reactions.4.2 Aliphatic Nucleophilic Substitution.4.3 Aromatic Electrophilic Substitution.4.4 Aliphatic Electrophilic Substitution.4.5 Aromatic Nucleophilic Substitution.4.6 Aromatic Substitution by Metal Catalysis or Other Complex Mechanisms.4.7 Free-radical Substitution.4.8 Addition to Carbon-Carbon Multiple Bonds.4.9 Addition to Carbon-Hetero Multiple Bonds.4.10 Eliminations.4.11 Rearrangements.4.12 Oxidations and Reductions.4.13 Organic Synthesis Reactions of Undisclosed Mechanism.4.14 Inorganic Reactions.5. GAS/LIQUID REACTIONS.5.1 Micro Reactors for Gas/Liquid Reactions.5.2 Aromatic Electrophilic Substitution.5.3 Free Radical Substitution.5.4 Addition to Carbon-Carbon Multiple Bonds.5.5 Addition to Carbon-Heteroatom Multiple Bonds.5.6 Oxidations and Reductions.5.7 Inorganic Reactions.Index.
• (source: Nielsen Book Data)

Micro process engineering is approaching both academia and industry. With the provision of micro devices and systems by commercial suppliers, one main barrier for using these units has been eliminated. More and more they become familiar, thereby being one facet of the upheaval in chemical industry. This book focuses on processes rather than on devices: what is 'before' and 'behind' micro device fabrication. A comprehensive and detailed overview is given on: a multi-faceted, hierarchic analysis of chemical micro process technology; modelling and simulation of micro reactors; liquid- and liquid/liquid-phase reactions; gas/liquid reactions; and Gas-phase reactions (heterogeneous catalysis).
(source: Nielsen Book Data)

• Reaction types ; Manufacture of chemicals.

This title provides the data you need to understand and control the chemical processes! Creating the product you want cannot be achieved without a full understanding of basic chemical processes such as reactions, separations, mixing, heating, cooling, pressure change, and particle size reduction and enlargement. "Chemical Process and Design Handbook" provides the essential qualitative analysis of all of these processes. "Chemical Process and Design Handbook": presents each of the major chemical processes in logically arranged alphabetical chapters; covers state-of-the-art processing operations in the chemical industry with precursors and intermediates combined according to their application within each chapter; and, places particular emphasis on chemical conversions - the chemical reactions applied to industrial processing.It provides easy-to-understand descriptions of chemical reactions in order to assist in the explanation of reactor type and design. It details the development and significance of a product, with emphasis placed on current processes. It describes the latest process developments. It delves into possible future improvements or changes to other more economical or readily available feedstocks. It extensively utilizes flow charts in order to clearly present the information in the perspective of the chemical process. Invaluable to chemical and environmental engineers as well as process designers, "Chemical Process and Design Handbook" puts information, answers, and solutions and your fingertips.
(source: Nielsen Book Data)

• Part I Fundamentals Revisited Reactions and reactors: Basic concepts Chapter objectives Introduction Reaction rates Stoichiometry of the rate equation Multiple steady states References Bibliography Explore Yourself Complex reactions and reactors Chapter objectives Introduction Reduction of complex reactions Rate equations Selectivity and yield Yield versus number of steps Reactor design for complex reactions Reactor choice for maximizing yields/selectivities Plug-flow reactor with recycle Semibatch reactors Optimum temperatures/temperature profiles for maximizing yields/selectivities References Bibliography Explore Yourself Interlude I Reactive distillation Membrane reactors Phase transfer catalysis References Nonideal reactor analysis Chapter objectives Introduction Two limits of the ideal reactor Nonidealities defined with respect to the ideal reactors Residence time distribution Concept of mixing Turbulent mixing models Practical implications of mixing in chemical Synthesis References Bibliography Explore Yourself Interlude II Limits of mean field theory The predator-prey problem or surface mixing Mixing problem addressed References Part II Building on Fundamentals Introduction The different tools of the trade Rates and equilibria: The thermodynamic and extrathermodynamic approaches Chapter objectives Introduction Basic thermodynamic relationships and properties Thermodynamics of reactions in solution Extrathermodynamic approach Extrathermodynamic relationships between rate and equilibrium parameters Thermodynamics of adsorption Appendix References Bibliography Explore Yourself Interlude III Reactor design for thermodynamically limited reactions References Theory of chemical kinetics in the bulk and on the surface Chapter objectives Chemical kinetics Collision theory Transition state theory Proposing a kinetic model Brief excursion for the classification of surface reaction mechanisms Microkinetic analysis References Bibliography Explore Yourself Reactions with an interface: Mass and heat transfer effects Chapter objectives Introduction Transport between phases Mass transfer across interfaces: Fundamentals Solid catalyzed fluid reactions Noncatalytic gas-solid reactions Gas-liquid reactions in a slab Effect of external mass and heat transfer Regimes of control References Explore Yourself Laboratory reactors: Collection and analysis of the data Chapter objectives Chemical reaction tests in a laboratory A perspective on statistical experimental design Batch laboratory reactors Rate parameters from batch reactor data Flow reactors for testing gas-solid catalytic reactions The transport disguises in perspective Analyzing the data References Explore Yourself Part III Beyond the Fundamentals Objectives Introduction The different tools of the trade Process intensification References Fixed-bed reactor design for solid catalyzed fluid-phase reactions Chapter objectives Introduction Nonisothermal, nonadiabatic, and adiabatic reactors Adiabatic reactor Choice between NINA-PBR and A-PBR Alternative fixed-bed designs References Bibliography Explore Yourself Fluidized-bed reactor design for solid catalyzed fluid-phase reactions Chapter objectives General comments Fluidization: Some basics Two-phase theory of fluidization Geldart's classification Bubbling bed model of fluidized-bed reactors Solids distribution Calculation of conversion Strategies to improve fluid-bed reactor performance Extension to other regimes of fluidization types of reactors Deactivation control Some practical considerations Fluidized-bed versus fixed-bed reactors References Explore Yourself Gas-solid noncatalytic reactions and reactors Chapter objectives Introduction Modeling of gas-solid reactions Extensions to the basic models Models that account for structural variations A general model that can be reduced to specific ones Gas-solid noncatalytic reactors References Gas-liquid and liquid-liquid reactions and reactors Chapter objectives Introduction Diffusion accompanied by an irreversible reaction of general order Measurement of mass transfer coefficients Reactor design A generalized form of equation for all regimes Classification of gas-liquid contactors Reactor design for gas-liquid reactions Reactor choice Liquid-liquid contactors Stirred tank reactor: Some practical considerations References Multiphase reactions and reactors Chapter objectives Introduction Design of three-phase catalytic reactors Types of three-phase reactors Loop slurry reactors Collection and interpretation of laboratory data for three-phase catalytic reactions Three-phase noncatalytic reactions References Bibliography Membrane-assisted reactor engineering Introduction General considerations Modeling of membrane reactors Operational features Comparison of reactors Examples of the use of membrane reactors in organic technology/synthesis References Combo reactors: Distillation column Reactors Distillation column reactor Enhancing role of distillation: Basic principle Overall effectiveness factor in a packed DCR Distillation-reaction References Homogeneous catalysis Introduction Formalisms in transition metal catalysis Operational scheme of homogeneous catalysis Basic reactions of homogeneous catalysis Main features of transition metal catalysis in organic synthesis: A summary A typical class of industrial reactions: Hydrogenation General kinetic analysis References Phase-transfer catalysis Introduction Fundamentals of PTC Mechanism of PTC Modeling of PTC reactions "Cascade engineered" PTC process References Forefront of the chemical reaction engineering field Objective Introduction Resource economy Energy economy Chemical reaction engineer in the twenty-first century In Closing Index.
• (source: Nielsen Book Data)

Filling a longstanding gap for graduate courses in the field, Chemical Reaction Engineering: Beyond the Fundamentals covers basic concepts as well as complexities of chemical reaction engineering, including novel techniques for process intensification. The book is divided into three parts: Fundamentals Revisited, Building on Fundamentals, and Beyond the Fundamentals. Part I: Fundamentals Revisited reviews the salient features of an undergraduate course, introducing concepts essential to reactor design, such as mixing, unsteady-state operations, multiple steady states, and complex reactions. Part II: Building on Fundamentals is devoted to "skill building, " particularly in the area of catalysis and catalytic reactions. It covers chemical thermodynamics, emphasizing the thermodynamics of adsorption and complex reactions; the fundamentals of chemical kinetics, with special emphasis on microkinetic analysis; and heat and mass transfer effects in catalysis, including transport between phases, transfer across interfaces, and effects of external heat and mass transfer. It also contains a chapter that provides readers with tools for making accurate kinetic measurements and analyzing the data obtained. Part III: Beyond the Fundamentals presents material not commonly covered in textbooks, addressing aspects of reactors involving more than one phase. It discusses solid catalyzed fluid-phase reactions in fixed-bed and fluidized-bed reactors, gas-solid noncatalytic reactions, reactions involving at least one liquid phase (gas-liquid and liquid-liquid), and multiphase reactions. This section also describes membrane-assisted reactor engineering, combo reactors, homogeneous catalysis, and phase-transfer catalysis. The final chapter provides a perspective on future trends in reaction engineering.
(source: Nielsen Book Data)

• Preface Nomenclature About the author
• 1 Definitions and stoichiometry 1.1 Measurement variables 1.2 Calculation of measurement variables 1.2.1 Extent of the reaction 1.2.2 Conversion 1.3 Continuous systems 1.4 Partial pressures 1.5 Method of total pressure 1.6 General properties 1.7 Solved problems
• 2 Chemical equilibrium
• 3 Kinetic of reactions 3.1 Reaction rates-definitions 3.2 Reaction rate 3.2.1 Kinetic equations 3.3 Influence of the temperature on the reaction rate 3.3.1 Reversible reactions 3.3.2 Interpretation remarks
• 4 Molar balance in open and closed systems with chemical reaction 4.1 Batch 4.2 Continuous stirring tank reactor 4.3 Continuous tubular reactor
• 5 Determination of kinetic parameters 5.1 Irreversible reaction at constant volume 5.1.1 Kinetic model of first order 5.1.2 Kinetic model of second order (global) 5.2 Irreversible reactions at variable volume 5.2.1 Irreversible of first order 5.2.2 Irreversible reactions of second order 5.3 Irreversible reactions of order n-half-life method 5.4 Reversible reactions at constant volume 5.4.1 Direct and reverse first-order elementary reaction 5.4.2 Direct and reverse second-order elementary reaction 5.5 Determination of the kinetic parameters by the differential method 5.5.1 Differential reactor
• 6 Kinetics of multiple reactions 6.1 Simple reactions in series 6.2 Simple parallel reactions 6.3 Continuous systems 6.4 Kinetics of complex reactions 6.4.1 Decomposition reactions 6.4.2 Parallel reactions 6.4.3 Series-parallel reactions 7 Non-elementary reactions 7.1 Classical kinetic model 7.2 Chain reactions 7.3 Theory of the transition state
• 8 Polymerization reactions 8.1 Reactions of thermal cracking 8.2 Kinetics of polymerization reactions 8.3 Reactions by addition of radicals 8.3.1 Initiation 8.3.2 Propagation 8.3.3 Termination
• 9 Kinetics of liquid-phase reactions 9.1 Enzymatic reactions 9.1.1 Kinetic model 9.1.2 Determination of the kinetic parameters 9.1.3 Effect of external inhibitors 9.1.4 Kinetics of biological fermentation 9.1.5 Mass balance 9.2 Liquid-phase reactions 9.2.1 Liquid solutions 9.2.2 Acid-base reactions
• 10 Heterogeneous reaction kinetics 10.1 External phenomena 10.2 Internal diffusion phenomena 10.3 Adsorption-desorption phenomena 10.3.1 Physical adsorption or physisorption 10.3.2 Chemical adsorption or chemisorption 10.3.3 Comparing physical and chemical adsorptions 10.4 Adsorption isotherms 10.5 Adsorption models 10.5.1 Langmuir model 10.5.2 Other chemisorption models 10.6 Model of heterogeneous reactions 10.6.1 Langmuir-Hinshelwood-Hougen-Watson model (LHHW) 10.6.2 Eley-Rideal model 10.6.3 Effect of the temperature and energies 10.7 Determination of the constants 10.8 Noncatalytic heterogeneous reactions
• 11 Kinetic exercises 11.1 Solution of kinetic exercises 11.2 Proposed exercises
• 12 Elementary concepts of the collision theory 12.1 Collision and reaction rates
• 13 Catalysis: Analyzing variables influencing the catalytic properties 13.1 Introduction 13.2 Selection of catalysts 13.3 Activity patterns 13.3.1 Model reactions 13.3.2 Cyclohexane dehydrogenation 13.3.3 Benzene hydrogenation 13.4 Conventional preparation methods of catalysts 13.4.1 Precipitation/coprecipitation methods 13.4.2 Impregnation of metals on supports 13.4.3 Ion exchange 13.5 Analyses of variables influencing final properties of catalysts 13.5.1 Influence of pH 13.5.2 Autoclaving 13.5.3 Influence of time, concentration, and impregnation cycles 13.6 Thermal treatments 13.6.1 Drying 13.6.2 Calcination 13.7 Effect of reduction temperature on interaction and sintering 13.8 Influence of the support and metal concentration over the reduction 13.9 Influence of the heating rate 13.10 Influence of vapor 13.11 Effect of temperature and reaction time 13.12 Strong metal support interaction 13.13 Experimental design-influence of parameters on the catalytic performance 13.14 Conclusion
• 14 Ideal reactors 14.1 Types of reactors 14.2 Definitions and concepts of residence time 14.3 Ideal reactors 14.3.1 Batch reactor 14.3.2 Continuous tank reactor 14.3.3 Continuous tubular reactor (PFR) 14.4 Ideal nonisothermal reactors 14.4.1 Adiabatic continuous reactor 14.4.2 Nonadiabatic batch reactor 14.4.3 Adiabatic batch reactor 14.4.4 Analysis of the thermal effects
• 15 Specific reactors 15.1 Semibatch reactor 15.2 Reactor with recycle 15.3 Pseudo-homogeneous fixed-bed reactor 15.4 Membrane reactors
• 16 Comparison of reactors 16.1 Comparison of volumes 16.1.1 Irreversible first-order reaction at constant volume 16.1.2 Irreversible second-order reaction at constant volume 16.1.3 Reactions at variable volume 16.2 Productivity 16.3 Yield/selectivity 16.4 Overall yield 16.4.1 Effect of reaction order 16.4.2 Effects of kinetic constants 16.4.3 Presence of two reactants 16.5 Reactions in series
• 17 Combination of reactors 17.1 Reactors in series 17.1.1 Calculating the number of reactors in series to an irreversible first-order reaction 17.1.2 Calculating the number of reactors in series for an irreversible second-order reaction 17.1.3 Graphical solution 17.2 Reactors in parallel 17.3 Production rate in reactors in series 17.4 Yield and selectivity in reactors in series
• 18 Transport phenomena in heterogeneous systems 18.1 Intraparticle diffusion limitation-pores 18.2 Effectiveness factor 18.3 Effects of intraparticle diffusion on the experimental parameters 18.4 External mass transfer and intraparticle diffusion limitations
• 19 Catalyst deactivation 19.1 Kinetics of deactivation 19.2 Deactivation in PFR or CSTR reactor 19.3 Forced deactivation 19.4 Catalyst regeneration 19.4.1 Differential scanning calorimetry 19.4.2 Temperature programmed oxidation 19.4.3 Catalytic evaluation 19.5 Kinetic study of regeneration 19.5.1 Balance with respect to solid (carbon) 19.5.2 Particular case
• 20 Exercises reactors and heterogeneous reactors 20.1 Solutions to exercises: reactors 20.2 Exercises proposed: reactors
• 21 Multiphase reacting systems
• 22 Heterogeneous reactors 22.1 Fixed bed reactor 22.1.1 Reactors in series 22.2 Fluidized bed reactor
• 23 Biomass-thermal and catalytic processes 23.1 Introduction 23.2 Chemical nature of raw material from biomass 23.3 Biomass pyrolysis 23.4 Pyrolysis kinetics 23.5 Biomass reactors 23.5.1 Mass balance 23.5.2 Energy balance 23.6 Bio-oil upgrading and second-generation processes 23.6.1 Hydrodeoxygenation 23.6.2 Fischer-Tropsch synthesis
• 24 Nonideal reactors 24.1 Introduction 24.2 Residence time distribution 24.2.1 Ideal cases 24.2.2 Variance 24.3 Mixing effects 24.3.1 Irreversible reactions 24.4 Analysis of nonideal reactors 24.4.1 Momentum 24.4.2 Mass balance 24.4.3 Energy balance 24.4.4 Analysis of boundary conditions 25 Experimental practices 25.1 Reactions in homogeneous phase 25.1.1 Free radical polymerization of styrene 25.1.2 Polymerization of isobutylene 25.2 Reactions in heterogeneous phase 25.2.1 Experimental system 25.2.2 Determination of activation energy: dehydrogenation of cyclohexane 25.2.3 Kinetic study-methane reforming with CO2-heterogeneous reaction 25.3 Performance of reactors 25.3.1 Batch reactor-hydrogenation of sucrose 25.3.2 Integral continuous flow reactor (tubular)-isomerization of xylenes 25.3.3 Goals References Subject index.
• (source: Nielsen Book Data)

Chemical Reaction Engineering: Essentials, Exercises and Examples presents the essentials of kinetics, reactor design and chemical reaction engineering for undergraduate students. Concise and didactic in its approach, it features over 70 resolved examples and many exercises. The work is organized in two parts: in the first part kinetics is presented focusing on the reaction rates, the influence of different variables and the determination of specific rate parameters for different reactions both homogeneous and heterogeneous. This section is complemented with the classical kinetic theory and in particular with many examples and exercises. The second part introduces students to the distinction between ideal and non-ideal reactors and presents the basic equations of batch and continuous ideal reactors, as well as specific isothermal and non-isothermal systems. The main emphasis however is on both qualitative and quantitative interpretation by comparing and combining reactors with and without diffusion and mass transfer effects, complemented with several examples and exercises. Finally, non-ideal and multiphase systems are presented, as well as specific topics of biomass thermal processes and heterogeneous reactor analyses. The work closes with a unique section on the application of theory in laboratory practice with kinetic and reactor experiments. This textbook will be of great value to undergraduate and graduate students in chemical engineering as well as to graduate students in and researchers of kinetics and catalysis.
(source: Nielsen Book Data)

An introduction to the subject of chemical reactions as carried out on an industrial scale. Emphasizes heterogeneous reactions and covers process development, kinetic data organization, chemical reactor behavior, and heterogeneous reactor types.

• Process assessment and definition
• techniques for evaluating chemical reaction hazards
• interpreting data with respect to process operation and plant design
• process risk analysis
• selecting and specifying a basis of safety
• general hazards of plant operation
• operating procedures and instructions.
• (source: Nielsen Book Data)

Assess the potential hazards of your process before designing the plant. 100 case studies have been added to the original text of the first edition. This second edition provides a basis for the identification and evaluation of chemical reaction hazards not only for practising chemists, engineers and plant personnel but also for students.
(source: Nielsen Book Data)
This work discusses how hazards may be avoided by the early assessment of chemicals and what may happen to them during the process of chemical manufacturing. Coverage includes: process assessment and definition; techniques for evaluating chemical reaction hazards; and process risk analysis. This is an updated edition which contains 100 case studies to illustrate the text.
(source: Nielsen Book Data)

• About the Author xi Preface xiii 1 Fundamentals of Chemical Reaction Kinetics 1 1.1 Concepts of Stoichiometry 1 1.1.1 Stoichiometric Number and Coefficient 1 1.1.2 Molecularity 2 1.1.3 Reaction Extent 3 1.1.4 Molar Conversion 4 1.1.5 Types of Feed Composition in a Chemical Reaction 5 1.1.6 Limiting Reactant 6 1.1.7 Molar Balance in a Chemical Reaction 7 1.1.8 Relationship between Conversion and Physical Properties of the Reacting System 8 1.2 Reacting Systems 11 1.2.1 Mole Fraction, Weight Fraction and Molar Concentration 11 1.2.2 Partial Pressure 13 1.2.3 Isothermal Systems at Constant Density 13 1.2.3.1 Relationship between Partial Pressure (pA) and Conversion (xA) 16 1.2.3.2 Relationship between Partial Pressure (pA) and Total Pressure (P) 16 1.2.3.3 Relationship between Molar Concentration (CA) and Total Pressure (P) 16 1.2.4 Isothermal Systems at Variable Density 18 1.2.5 General Case of Reacting Systems 22 1.2.6 Kinetic Point of View of the Chemical Equilibrium 22 1.3 Concepts of Chemical Kinetics 24 1.3.1 Rate of Homogeneous Reactions 24 1.3.2 Power Law 26 1.3.2.1 Relationship between kp and kc 27 1.3.2.2 Units of kc and kp 27 1.3.3 Elemental and Non-elemental Reactions 29 1.3.4 Comments on the Concepts of Molecularity and Reaction Order 30 1.3.5 Dependency of k with Temperature 30 1.3.5.1 Arrhenius Equation 30 1.3.5.2 Frequency Factor and Activation Energy 32 1.3.5.3 Evaluation of the Parameters of the Arrhenius Equation 32 1.3.5.4 Modified Arrhenius Equation 42 1.4 Description of Ideal Reactors 43 1.4.1 Batch Reactors 43 1.4.1.1 Modes of Operation 44 1.4.1.2 Data Collection 46 1.4.1.3 Mass Balance 48 1.4.2 Continuous Reactors 49 1.4.2.1 Space-Time and Space-Velocity 50 1.4.2.2 Plug Flow Reactor 50 1.4.2.3 Continuous Stirred Tank Reactor 52 2 Irreversible Reactions of One Component 55 2.1 Integral Method 56 2.1.1 Reactions of Zero Order 58 2.1.2 Reactions of the First Order 59 2.1.3 Reaction of the Second Order 61 2.1.4 Reactions of the nth Order 64 2.2 Differential Method 69 2.2.1 Numerical Differentiation 71 2.2.1.1 Method of Approaching the Derivatives ( dCA/dt) to ( CA/ t) or (dxA/dt) to ( xA/ t) 71 2.2.1.2 Method of Finite Differences 72 2.2.1.3 Method of a Polynomial of the nth Order 74 2.2.2 Graphical Differentiation 74 2.2.2.1 Method of Area Compensation 74 2.2.2.2 Method of Approaching the Derivative ( dCA/dt) to ( CA/ t) 76 2.2.2.3 Method of Finite Differences 77 2.2.2.4 Method of a Polynomial of the nth Order 78 2.2.2.5 Method of Area Compensation 80 2.2.2.6 Summary of Results 82 2.3 Method of Total Pressure 83 2.3.1 Reactions of Zero Order 84 2.3.2 Reactions of the First Order 85 2.3.3 Reactions of the Second Order 85 2.3.4 Reactions of the nth Order 86 2.3.5 Differential Method with Data of Total Pressure 88 2.4 Method of the Half-Life Time 91 2.4.1 Reactions of Zero Order 92 2.4.2 Reactions of the First Order 92 2.4.3 Reaction of the Second Order 93 2.4.4 Reaction of the nth Order 93 2.4.5 Direct Method to Calculate k and n with Data of t1/2 95 2.4.6 Extension of the Method of Half-Life Time (t1/2) to Any Fractional Life Time (t1/m) 97 2.4.7 Calculation of Activation Energy with Data of Half-Life Time 97 2.4.8 Some Observations of the Method of Half-Life Time 99 2.4.8.1 Calculation of n with Two Data of t1/2Measured with Different CAo 99 2.4.8.2 Generalization of the Method of Half-Life Time for Any Reaction Order 101 3 Irreversible Reactions with Two or Three Components 103 3.1 Irreversible Reactions with Two Components 103 3.1.1 Integral Method 103 3.1.1.1 Method of Stoichiometric Feed Composition 104 3.1.1.2 Method of Non-stoichiometric Feed Composition 109 3.1.1.3 Method of a Reactant in Excess 117 3.1.2 Differential Method 120 3.1.2.1 Stoichiometric Feed Composition 120 3.1.2.2 Feed Composition with a Reactant in Excess 120 3.1.2.3 Non-stoichiometric Feed Compositions 121 3.1.3 Method of Initial Reaction Rates 123 3.2 Irreversible Reactions between Three Components 127 3.2.1 Case
• 1: Stoichiometric Feed Composition 127 3.2.2 Case
• 2: Non-stoichiometric Feed Composition 129 3.2.3 Case
• 3: Feed Composition with One Reactant in Excess 130 3.2.4 Case
• 4: Feed Composition with Two Reactants in Excess 131 4 Reversible Reactions 135 4.1 Reversible Reactions of First Order 135 4.2 Reversible Reactions of Second Order 139 4.3 Reversible Reactions with Combined Orders 146 5 Complex Reactions 153 5.1 Yield and Selectivity 153 5.2 Simultaneous or Parallel Irreversible Reactions 155 5.2.1 Simultaneous Reactions with the Same Order 155 5.2.1.1 Case
• 1: Reactions with Only One Reactant 155 5.2.1.2 Case
• 2: Reactions with Two Reactants 161 5.2.2 Simultaneous Reactions with Combined Orders 163 5.2.2.1 Integral Method 165 5.2.2.2 Differential Method 166 5.3 Consecutive or In-Series Irreversible Reactions 167 5.3.1 Consecutive Reactions with the Same Order 167 5.3.1.1 Calculation of CR max and t 171 5.3.1.2 Calculation of CR max and t for k1= k2 172 5.3.2 Consecutive Reactions with Combined Orders 174 6 Special Topics in Kinetic Modelling 179 6.1 Data Reconciliation 180 6.1.1 Data Reconciliation Method 181 6.1.2 Results and Discussion 182 6.1.2.1 Source of Data 182 6.1.2.2 Global Mass Balances 185 6.1.2.3 Outlier Determination 187 6.1.2.4 Data Reconciliation 187 6.1.2.5 Analysis of Results 189 6.1.3 Conclusions 195 6.2 Methodology for Sensitivity Analysis of Parameters 196 6.2.1 Description of the Method 198 6.2.1.1 Initialization of Parameters 199 6.2.1.2 Non-linear Parameter Estimation 201 6.2.1.3 Sensitivity Analysis 201 6.2.1.4 Residual Analysis 202 6.2.2 Results and Discussion 202 6.2.2.1 Experimental Data and the Reaction Rate Model from the Literature 202 6.2.2.2 Initialization of Parameters 204 6.2.2.3 Results of Non-linear Estimation 206 6.2.2.4 Sensitivity Analysis 207 6.2.2.5 Analysis of Residuals 210 6.2.3 Conclusions 210 6.3 Methods for Determining Rate Coefficients in Enzymatic Catalysed Reactions 211 6.3.1 The Michaelis-Menten Model 213 6.3.1.1 Origin 213 6.3.1.2 Development of the Model 213 6.3.1.3 Importance of Vmax and Km 214 6.3.2 Methods to Determine the Rate Coefficients of the Michaelis-Menten Equation 214 6.3.2.1 Linear Regression 214 6.3.2.2 Graphic Method 215 6.3.2.3 Integral Method 215 6.3.2.4 Non-linear Regression 216 6.3.3 Application of the Methods 217 6.3.3.1 Experimental Data 217 6.3.3.2 Calculation of Kinetic Parameters 220 6.3.4 Discussion of Results 222 6.3.5 Conclusions 225 6.4 A Simple Method for Estimating Gasoline, Gas and Coke Yields in FCC Processes 226 6.4.1 Introduction 226 6.4.2 Methodology 227 6.4.2.1 Choosing the Kinetic Models 227 6.4.2.2 Reaction Kinetics 228 6.4.2.3 Estimation of Kinetic Parameters 229 6.4.2.4 Evaluation of Products Yields 230 6.4.2.5 Advantages and Limitations of the Methodology 230 6.4.3 Results and Discussion 231 6.4.4 Conclusions 234 6.5 Estimation of Activation Energies during Hydrodesulphurization of Middle Distillates 234 6.5.1 Introduction 234 6.5.2 Experiments 235 6.5.3 Results and Discussion 236 6.5.3.1 Experimental Results 236 6.5.3.2 Estimation of Kinetic Parameters 237 6.5.3.3 Effect of Feed Properties on Kinetic Parameters 240 6.5.4 Conclusions 241 Problems 243 Nomenclature 273 References 277 Index 283.
• (source: Nielsen Book Data)

• Preface
• Chapter 1. Fundamentals of chemical reaction kinetics 1.1. Concepts of stoichiometry 1.1.1. Stoichiometric number and coefficient 1.1.2. Molecularity 1.1.3. Reaction extent 1.1.4. Molar conversion 1.1.5. Types of feed composition in a chemical reaction 1.1.6. Limiting reactant 1.1.7. Molar balance in a chemical reaction 1.1.8. Relationship between conversion and physical properties of the reacting system 1.2. Reacting systems 1.2.1. Mole fraction, weight fraction and molar concentration 1.2.2. Partial pressure 1.2.3. Isothermal systems at constant density 1.2.4. Isothermal systems at variable density 1.2.5. General case of reacting systems 1.2.6. Kinetic point of view of the chemical equilibrium 1.3. Concepts of chemical kinetics 1.3.1. Rate of homogeneous reactions 1.3.2. Power law 1.3.3. Elemental and non-elemental reactions 1.3.4. Comments on the concepts of molecularity and reaction order 1.3.5. Dependency of k with temperature 1.4. Description of ideal reactors 1.4.1. Batch reactor 1.4.2. Continuous reactors
• Chapter 2. Irreversible reactions of one component 2.1. Integral method 2.1.1. Reactions of zero order 2.1.2. Reactions of first order 2.1.3. Reaction of second order 2.1.4. Reactions of nth order 2.2. Differential method 2.2.1. Numerical differentiation 2.2.2. Graphical differentiation 2.3. Method of total pressure 2.3.1. Reactions of zero order 2.3.2. Reactions of first order 2.3.3. Reactions of second order 2.3.4. Reactions of nth order 2.3.5. Differential method with data of total pressure 2.4. Method of the half-life time 2.4.1. Reactions of zero order 2.4.2. Reactions of first order 2.4.3. Reaction of second order 2.4.4. Reaction of nth order 2.4.5. Direct method to calculate k and n with data of t1/2 2.4.6. Extension of the method of half-life time (t1/2) to any fractional life time (t1/m) 2.4.7. Calculation of activation energy with data of half-life time 2.4.8. Some observations of the method of half-life time
• Chapter 3. Irreversible reactions with two or three components 3.1. Irreversible reactions with two components 3.1.1. Integral method 3.1.2. Differential method 3.1.3. Method of initial reaction rates 3.2. Irreversible reactions between three components
• Chapter 4. Reversible reactions 4.1. Reversible reactions of first order 4.2. Reversible reactions of second order 4.3. Reversible reactions with combined orders
• Chapter 5. Complex reactions 5.1. Yield and selectivity 5.2. Simultaneous or parallel irreversible reactions 5.2.1. Simultaneous reactions with the same order 5.2.2. Simultaneous reactions with combined orders 5.3. Consecutive or in series irreversible reactions 5.3.1. Consecutive reactions with the same order 5.3.2. Consecutive reactions with combined orders
• Chapter 6. Special topics in kinetic modeling 6.1. Data reconciliation 6.1.1. Data reconciliation method 6.1.2. Results and discussion 6.1.3. Conclusions 6.2. Methodology for sensitivity analysis of parameters 6.2.1. Description of the method 6.2.2. Results and discussion 6.2.3. Conclusions 6.3. Methods for determining rate coefficients in enzymatic catalyzed reactions 6.3.1. The model of Michaelis-Menten 6.3.2. Methods to determine the rate coefficients of the Michaelis-Menten equation 6.3.3. Application of the methods 6.3.4. Discussion of results 6.3.5. Conclusions 6.4. A simple method for estimating gasoline, gas and coke yields in FCC processes 6.4.1. Introduction 6.4.2. Methodology 6.4.3. Results and discussion 6.4.4 Conclusions 6.5. Estimation of activation energies during hydrodesulfurization of middle distillates 6.5.1. Introduction 6.5.2. Experimental 6.5.3. Results and discussion 6.5.4. Conclusions Problems References Nomenclature.
• (source: Nielsen Book Data)

A practical approach to chemical reaction kinetics--from basic concepts to laboratory methods--featuring numerous real-world examples and case studies This book focuses on fundamental aspects of reaction kinetics with an emphasis on mathematical methods for analyzing experimental data and interpreting results. It describes basic concepts of reaction kinetics, parameters for measuring the progress of chemical reactions, variables that affect reaction rates, and ideal reactor performance. Mathematical methods for determining reaction kinetic parameters are described in detail with the help of real-world examples and fully-worked step-by-step solutions. Both analytical and numerical solutions are exemplified. The book begins with an introduction to the basic concepts of stoichiometry, thermodynamics, and chemical kinetics. This is followed by chapters featuring in-depth discussions of reaction kinetics; methods for studying irreversible reactions with one, two and three components; reversible reactions; and complex reactions. In the concluding chapters the author addresses reaction mechanisms, enzymatic reactions, data reconciliation, parameters, and examples of industrial reaction kinetics. Throughout the book industrial case studies are presented with step-by-step solutions, and further problems are provided at the end of each chapter. Takes a practical approach to chemical reaction kinetics basic concepts and methods Features numerous illustrative case studies based on the author's extensive experience in the industry Provides essential information for chemical and process engineers, catalysis researchers, and professionals involved in developing kinetic models Functions as a student textbook on the basic principles of chemical kinetics for homogeneous catalysis Describes mathematical methods to determine reaction kinetic parameters with the help of industrial case studies, examples, and step-by-step solutions Chemical Reaction Kinetics is a valuable working resource for academic researchers, scientists, engineers, and catalyst manufacturers interested in kinetic modeling, parameter estimation, catalyst evaluation, process development, reactor modeling, and process simulation. It is also an ideal textbook for undergraduate and graduate-level courses in chemical kinetics, homogeneous catalysis, chemical reaction engineering, and petrochemical engineering, biotechnology.
(source: Nielsen Book Data)

• Preface
• Chapter 1. Fundamentals of chemical reaction kinetics 1.1. Concepts of stoichiometry 1.1.1. Stoichiometric number and coefficient 1.1.2. Molecularity 1.1.3. Reaction extent 1.1.4. Molar conversion 1.1.5. Types of feed composition in a chemical reaction 1.1.6. Limiting reactant 1.1.7. Molar balance in a chemical reaction 1.1.8. Relationship between conversion and physical properties of the reacting system 1.2. Reacting systems 1.2.1. Mole fraction, weight fraction and molar concentration 1.2.2. Partial pressure 1.2.3. Isothermal systems at constant density 1.2.4. Isothermal systems at variable density 1.2.5. General case of reacting systems 1.2.6. Kinetic point of view of the chemical equilibrium 1.3. Concepts of chemical kinetics 1.3.1. Rate of homogeneous reactions 1.3.2. Power law 1.3.3. Elemental and non-elemental reactions 1.3.4. Comments on the concepts of molecularity and reaction order 1.3.5. Dependency of k with temperature 1.4. Description of ideal reactors 1.4.1. Batch reactor 1.4.2. Continuous reactors
• Chapter 2. Irreversible reactions of one component 2.1. Integral method 2.1.1. Reactions of zero order 2.1.2. Reactions of first order 2.1.3. Reaction of second order 2.1.4. Reactions of nth order 2.2. Differential method 2.2.1. Numerical differentiation 2.2.2. Graphical differentiation 2.3. Method of total pressure 2.3.1. Reactions of zero order 2.3.2. Reactions of first order 2.3.3. Reactions of second order 2.3.4. Reactions of nth order 2.3.5. Differential method with data of total pressure 2.4. Method of the half-life time 2.4.1. Reactions of zero order 2.4.2. Reactions of first order 2.4.3. Reaction of second order 2.4.4. Reaction of nth order 2.4.5. Direct method to calculate k and n with data of t1/2 2.4.6. Extension of the method of half-life time (t1/2) to any fractional life time (t1/m) 2.4.7. Calculation of activation energy with data of half-life time 2.4.8. Some observations of the method of half-life time
• Chapter 3. Irreversible reactions with two or three components 3.1. Irreversible reactions with two components 3.1.1. Integral method 3.1.2. Differential method 3.1.3. Method of initial reaction rates 3.2. Irreversible reactions between three components
• Chapter 4. Reversible reactions 4.1. Reversible reactions of first order 4.2. Reversible reactions of second order 4.3. Reversible reactions with combined orders
• Chapter 5. Complex reactions 5.1. Yield and selectivity 5.2. Simultaneous or parallel irreversible reactions 5.2.1. Simultaneous reactions with the same order 5.2.2. Simultaneous reactions with combined orders 5.3. Consecutive or in series irreversible reactions 5.3.1. Consecutive reactions with the same order 5.3.2. Consecutive reactions with combined orders
• Chapter 6. Special topics in kinetic modeling 6.1. Data reconciliation 6.1.1. Data reconciliation method 6.1.2. Results and discussion 6.1.3. Conclusions 6.2. Methodology for sensitivity analysis of parameters 6.2.1. Description of the method 6.2.2. Results and discussion 6.2.3. Conclusions 6.3. Methods for determining rate coefficients in enzymatic catalyzed reactions 6.3.1. The model of Michaelis-Menten 6.3.2. Methods to determine the rate coefficients of the Michaelis-Menten equation 6.3.3. Application of the methods 6.3.4. Discussion of results 6.3.5. Conclusions 6.4. A simple method for estimating gasoline, gas and coke yields in FCC processes 6.4.1. Introduction 6.4.2. Methodology 6.4.3. Results and discussion 6.4.4 Conclusions 6.5. Estimation of activation energies during hydrodesulfurization of middle distillates 6.5.1. Introduction 6.5.2. Experimental 6.5.3. Results and discussion 6.5.4. Conclusions Problems References Nomenclature.
• (source: Nielsen Book Data)

• About the Author xi Preface xiii 1 Fundamentals of Chemical Reaction Kinetics 1 1.1 Concepts of Stoichiometry 1 1.1.1 Stoichiometric Number and Coefficient 1 1.1.2 Molecularity 2 1.1.3 Reaction Extent 3 1.1.4 Molar Conversion 4 1.1.5 Types of Feed Composition in a Chemical Reaction 5 1.1.6 Limiting Reactant 6 1.1.7 Molar Balance in a Chemical Reaction 7 1.1.8 Relationship between Conversion and Physical Properties of the Reacting System 8 1.2 Reacting Systems 11 1.2.1 Mole Fraction, Weight Fraction and Molar Concentration 11 1.2.2 Partial Pressure 13 1.2.3 Isothermal Systems at Constant Density 13 1.2.3.1 Relationship between Partial Pressure (pA) and Conversion (xA) 16 1.2.3.2 Relationship between Partial Pressure (pA) and Total Pressure (P) 16 1.2.3.3 Relationship between Molar Concentration (CA) and Total Pressure (P) 16 1.2.4 Isothermal Systems at Variable Density 18 1.2.5 General Case of Reacting Systems 22 1.2.6 Kinetic Point of View of the Chemical Equilibrium 22 1.3 Concepts of Chemical Kinetics 24 1.3.1 Rate of Homogeneous Reactions 24 1.3.2 Power Law 26 1.3.2.1 Relationship between kp and kc 27 1.3.2.2 Units of kc and kp 27 1.3.3 Elemental and Non-elemental Reactions 29 1.3.4 Comments on the Concepts of Molecularity and Reaction Order 30 1.3.5 Dependency of k with Temperature 30 1.3.5.1 Arrhenius Equation 30 1.3.5.2 Frequency Factor and Activation Energy 32 1.3.5.3 Evaluation of the Parameters of the Arrhenius Equation 32 1.3.5.4 Modified Arrhenius Equation 42 1.4 Description of Ideal Reactors 43 1.4.1 Batch Reactors 43 1.4.1.1 Modes of Operation 44 1.4.1.2 Data Collection 46 1.4.1.3 Mass Balance 48 1.4.2 Continuous Reactors 49 1.4.2.1 Space-Time and Space-Velocity 50 1.4.2.2 Plug Flow Reactor 50 1.4.2.3 Continuous Stirred Tank Reactor 52 2 Irreversible Reactions of One Component 55 2.1 Integral Method 56 2.1.1 Reactions of Zero Order 58 2.1.2 Reactions of the First Order 59 2.1.3 Reaction of the Second Order 61 2.1.4 Reactions of the nth Order 64 2.2 Differential Method 69 2.2.1 Numerical Differentiation 71 2.2.1.1 Method of Approaching the Derivatives ( dCA/dt) to ( CA/ t) or (dxA/dt) to ( xA/ t) 71 2.2.1.2 Method of Finite Differences 72 2.2.1.3 Method of a Polynomial of the nth Order 74 2.2.2 Graphical Differentiation 74 2.2.2.1 Method of Area Compensation 74 2.2.2.2 Method of Approaching the Derivative ( dCA/dt) to ( CA/ t) 76 2.2.2.3 Method of Finite Differences 77 2.2.2.4 Method of a Polynomial of the nth Order 78 2.2.2.5 Method of Area Compensation 80 2.2.2.6 Summary of Results 82 2.3 Method of Total Pressure 83 2.3.1 Reactions of Zero Order 84 2.3.2 Reactions of the First Order 85 2.3.3 Reactions of the Second Order 85 2.3.4 Reactions of the nth Order 86 2.3.5 Differential Method with Data of Total Pressure 88 2.4 Method of the Half-Life Time 91 2.4.1 Reactions of Zero Order 92 2.4.2 Reactions of the First Order 92 2.4.3 Reaction of the Second Order 93 2.4.4 Reaction of the nth Order 93 2.4.5 Direct Method to Calculate k and n with Data of t1/2 95 2.4.6 Extension of the Method of Half-Life Time (t1/2) to Any Fractional Life Time (t1/m) 97 2.4.7 Calculation of Activation Energy with Data of Half-Life Time 97 2.4.8 Some Observations of the Method of Half-Life Time 99 2.4.8.1 Calculation of n with Two Data of t1/2Measured with Different CAo 99 2.4.8.2 Generalization of the Method of Half-Life Time for Any Reaction Order 101 3 Irreversible Reactions with Two or Three Components 103 3.1 Irreversible Reactions with Two Components 103 3.1.1 Integral Method 103 3.1.1.1 Method of Stoichiometric Feed Composition 104 3.1.1.2 Method of Non-stoichiometric Feed Composition 109 3.1.1.3 Method of a Reactant in Excess 117 3.1.2 Differential Method 120 3.1.2.1 Stoichiometric Feed Composition 120 3.1.2.2 Feed Composition with a Reactant in Excess 120 3.1.2.3 Non-stoichiometric Feed Compositions 121 3.1.3 Method of Initial Reaction Rates 123 3.2 Irreversible Reactions between Three Components 127 3.2.1 Case
• 1: Stoichiometric Feed Composition 127 3.2.2 Case
• 2: Non-stoichiometric Feed Composition 129 3.2.3 Case
• 3: Feed Composition with One Reactant in Excess 130 3.2.4 Case
• 4: Feed Composition with Two Reactants in Excess 131 4 Reversible Reactions 135 4.1 Reversible Reactions of First Order 135 4.2 Reversible Reactions of Second Order 139 4.3 Reversible Reactions with Combined Orders 146 5 Complex Reactions 153 5.1 Yield and Selectivity 153 5.2 Simultaneous or Parallel Irreversible Reactions 155 5.2.1 Simultaneous Reactions with the Same Order 155 5.2.1.1 Case
• 1: Reactions with Only One Reactant 155 5.2.1.2 Case
• 2: Reactions with Two Reactants 161 5.2.2 Simultaneous Reactions with Combined Orders 163 5.2.2.1 Integral Method 165 5.2.2.2 Differential Method 166 5.3 Consecutive or In-Series Irreversible Reactions 167 5.3.1 Consecutive Reactions with the Same Order 167 5.3.1.1 Calculation of CR max and t 171 5.3.1.2 Calculation of CR max and t for k1= k2 172 5.3.2 Consecutive Reactions with Combined Orders 174 6 Special Topics in Kinetic Modelling 179 6.1 Data Reconciliation 180 6.1.1 Data Reconciliation Method 181 6.1.2 Results and Discussion 182 6.1.2.1 Source of Data 182 6.1.2.2 Global Mass Balances 185 6.1.2.3 Outlier Determination 187 6.1.2.4 Data Reconciliation 187 6.1.2.5 Analysis of Results 189 6.1.3 Conclusions 195 6.2 Methodology for Sensitivity Analysis of Parameters 196 6.2.1 Description of the Method 198 6.2.1.1 Initialization of Parameters 199 6.2.1.2 Non-linear Parameter Estimation 201 6.2.1.3 Sensitivity Analysis 201 6.2.1.4 Residual Analysis 202 6.2.2 Results and Discussion 202 6.2.2.1 Experimental Data and the Reaction Rate Model from the Literature 202 6.2.2.2 Initialization of Parameters 204 6.2.2.3 Results of Non-linear Estimation 206 6.2.2.4 Sensitivity Analysis 207 6.2.2.5 Analysis of Residuals 210 6.2.3 Conclusions 210 6.3 Methods for Determining Rate Coefficients in Enzymatic Catalysed Reactions 211 6.3.1 The Michaelis-Menten Model 213 6.3.1.1 Origin 213 6.3.1.2 Development of the Model 213 6.3.1.3 Importance of Vmax and Km 214 6.3.2 Methods to Determine the Rate Coefficients of the Michaelis-Menten Equation 214 6.3.2.1 Linear Regression 214 6.3.2.2 Graphic Method 215 6.3.2.3 Integral Method 215 6.3.2.4 Non-linear Regression 216 6.3.3 Application of the Methods 217 6.3.3.1 Experimental Data 217 6.3.3.2 Calculation of Kinetic Parameters 220 6.3.4 Discussion of Results 222 6.3.5 Conclusions 225 6.4 A Simple Method for Estimating Gasoline, Gas and Coke Yields in FCC Processes 226 6.4.1 Introduction 226 6.4.2 Methodology 227 6.4.2.1 Choosing the Kinetic Models 227 6.4.2.2 Reaction Kinetics 228 6.4.2.3 Estimation of Kinetic Parameters 229 6.4.2.4 Evaluation of Products Yields 230 6.4.2.5 Advantages and Limitations of the Methodology 230 6.4.3 Results and Discussion 231 6.4.4 Conclusions 234 6.5 Estimation of Activation Energies during Hydrodesulphurization of Middle Distillates 234 6.5.1 Introduction 234 6.5.2 Experiments 235 6.5.3 Results and Discussion 236 6.5.3.1 Experimental Results 236 6.5.3.2 Estimation of Kinetic Parameters 237 6.5.3.3 Effect of Feed Properties on Kinetic Parameters 240 6.5.4 Conclusions 241 Problems 243 Nomenclature 273 References 277 Index 283.
• (source: Nielsen Book Data)

A practical approach to chemical reaction kinetics from basic concepts to laboratory methods featuring numerous real-world examples and case studies This book focuses on fundamental aspects of reaction kinetics with an emphasis on mathematical methods for analyzing experimental data and interpreting results. It describes basic concepts of reaction kinetics, parameters for measuring the progress of chemical reactions, variables that affect reaction rates, and ideal reactor performance. Mathematical methods for determining reaction kinetic parameters are described in detail with the help of real-world examples and fully-worked step-by-step solutions. Both analytical and numerical solutions are exemplified. The book begins with an introduction to the basic concepts of stoichiometry, thermodynamics, and chemical kinetics. This is followed by chapters featuring in-depth discussions of reaction kinetics; methods for studying irreversible reactions with one, two and three components; reversible reactions; and complex reactions. In the concluding chapters the author addresses reaction mechanisms, enzymatic reactions, data reconciliation, parameters, and examples of industrial reaction kinetics. Throughout the book industrial case studies are presented with step-by-step solutions, and further problems are provided at the end of each chapter. * Takes a practical approach to chemical reaction kinetics basic concepts and methods * Features numerous illustrative case studies based on the author s extensive experience in the industry * Provides essential information for chemical and process engineers, catalysis researchers, and professionals involved in developing kinetic models * Functions as a student textbook on the basic principles of chemical kinetics for homogeneous catalysis * Describes mathematical methods to determine reaction kinetic parameters with the help of industrial case studies, examples, and step-by-step solutions Chemical Reaction Kinetics is a valuable working resource for academic researchers, scientists, engineers, and catalyst manufacturers interested in kinetic modeling, parameter estimation, catalyst evaluation, process development, reactor modeling, and process simulation. It is also an ideal textbook for undergraduate and graduate-level courses in chemical kinetics, homogeneous catalysis, chemical reaction engineering, and petrochemical engineering, biotechnology.
(source: Nielsen Book Data)

• Introduction Graph Theory Assistance in Studies of Elementary Steps of Complex Reactions The Concept of an Elementary Step A Reaction as a Combinatorial Object Enumeration of Reaction Classes Topological Heuristics Other Heuristics Reaction Mechanisms and Networks Application of Graph Theory to Reaction Networks: An Overview of Different Methods and Eventsm Linear Reaction Networks Nonlinear Reaction Networks Classification of Reaction Mechanisms Based on Bipartite Graphs Classification of Simple Submechanisms Submechanism Graphs Balanced Mechanisms Partially Balanced Mechanisms Unbalanced Mechanisms Complexity of Reaction Mechanisms Introduction Complexity of Chemical Graphs Kinetic Complexity Index for Linear Reaction Networks Stoichiometric Complexity Index of Reaction Networks Topological Structure of a Mechanism and Its Kinetic Analysis Topological Structure of Mechanisms and the Structure of Kinetic Model Analysis of Conjugation Nodes Topological Structure of Mechanisms and "Dimensionless" Rate Equations Subject Index Each chapter also includes a References and Notes section.
• (source: Nielsen Book Data)

Over the last decade, increased attention to reaction dynamics, combined with the intensive application of computers in chemical studies, mathematical modeling of chemical processes, and mechanistic studies has brought graph theory to the forefront of research. It offers an advanced and powerful formalism for the description of chemical reactions and their intrinsic reaction mechanisms."Chemical Reaction Networks: A Graph-Theoretical Approach" elegantly reviews and expands upon graph theory as applied to mechanistic theory, chemical kinetics, and catalysis. The authors explore various graph-theoretical approaches to canonical representation, numbering, and coding of elementary steps and chemical reaction mechanisms, the analysis of their topological structure, the complexity estimation, and classification of reaction mechanisms. They discuss topologically distinctive features of multi route catalytic and non catalytic and chain reactions involving metal complexes. With it's careful balance of clear language and mathematical rigor, the presentation of the authors' significant original work, and emphasis on practical applications and examples, "Chemical Reaction Networks: A Graph Theoretical Approach" is both an outstanding reference and valuable tool for chemical research.
(source: Nielsen Book Data)

• 1. Reactions and Reaction Rates.
• 2. Reaction Rates-Some Generalizations.
• 3. Ideal Reactors.
• 4. Sizing and Analysis of Ideal Reactors.
• 5. Reaction Rate Fundamentals (Chemical Kinetics).
• 6. Analysis of Experimental Kinetic Data.
• 7. Multiple Reactions.
• 8. Use of the Energy Balance in reactor Sizing and Analysis.
• 9. Heterogeneous Catalysis Revisited.
• 10. "Nonideal" Reactors. Nomenclature. Index.
• (source: Nielsen Book Data)

Focused on the undergraduate audience, "Chemical Reaction Engineering" provides students with complete coverage of the fundamentals, including in-depth coverage of chemical kinetics. By introducing heterogeneous chemistry early in the book, the text gives students the knowledge they need to solve real chemistry and industrial problems. An emphasis on problem-solving and numerical techniques ensures students learn and practice the skills they will need later on, whether for industry or graduate work.
(source: Nielsen Book Data)