Release on 1988-09 | by Société française de chimie. Division de chimie physique. International Meeting
This is the reason why our Society encouraged a few years ago the initiative of Professor Savo Bratos who, with a group of French colleagues, prepared an impressive study on "Reactivite chimique en phase liquide", a prospective report which ...
Author: Société française de chimie. Division de chimie physique. International Meeting
Understanding chemical reactivity has been the permanent concern of chemists from time immemorial. If we were able to understand it and express it quantitatively there would practically remain no unsolved mystery, and reactions would be fully predictable, with their products and rates and even side reactions. The beautiful developments of thermodynamics through the 19th century supplied us with the knowledge of the way a reactions progresses, and the statistical view initiated by Gibbs has progressively led to an unders tanding closer to the microscopic phenomena. But is was always evident to all that these advances still left our understanding of chemical reactivity far behind our empirical knowledge of the chemical reaction in its practically infinite variety. The advances of recent years in quantum chemistry and statistical mechanics, enhanced by the present availability of powerful and fast compu ters, are very fast changing this picture, and bringing us really close to a microscopic understanding of chemical equilibria, reaction rates, etc.... This is the reason why our Society encouraged a few years ago the initiative of Professor Savo Bratos who, with a group of French colleagues, prepared an impressive study on "Reactivite chimique en phase liquide", a prospective report which was jointly published by the Societe Fran
Now featuring strong coverage of green/sustainable chemistry, this edition helps you every step of the way to build your problem-solving skills through easy-to-understand worked problems, new problem strategy maps, new Review & Check ...
Author: John C. Kotz
Publisher: Brooks/Cole Publishing Company
Succeed in chemistry using this paperback edition of CHEMISTRY & CHEMICAL REACTIVITY, Hybrid with OWL, Eighth Edition, which includes access to OWL Online Web Learning and its built-in interactive eBook. Packed with clear explanations, easy-to-follow problem-solving strategies, and dynamic study tools, the book combines thorough instruction with the powerful multimedia tools you need to develop a deeper understanding of general chemistry concepts. With OWL, you can learn at your own pace to ensure you've mastered each concept before you move on. The authors emphasize the visual nature of chemistry, illustrating the close interrelationship of the macroscopic, symbolic, and particulate levels of chemistry. The book's built-in access to the OWL online learning system helps you maximize your study time and improve your success in the course, while the interactive and customizable Cengage YouBook (interactive eBook) enhances your understanding through videoso and animations and gives you the ability to highlight, add notes, and more--including to option to download GO CHEMISTRY mini video lectures on to the key topics in the text for quick, on-the-go review on your iTunes, video iPods/iPhones, other personal video players, and QuickTime.
I am grateful to D. Reidel Publishing Company for translating the third volume of the treatise into English. Readers familiar with English rather than French now have access to the complete series.
Author: R. Daudel
Publisher: Springer Science & Business Media
Quantum Theory of Chemical Reactivity may be read without reference to the fact that it is actually the third of three volumes of a treatise on quantum chemistry, the science resulting from the implementation of mathematical laws in the realm of molecular populations. The first two volumes of the treatise, 'Fondement de la Chimie Tbeorique' and 'Structure Electrique des Molecules' were, like this third volume, originally published by Gauthier-Villars; Pergamon published the English translations of these two volumes. I am grateful to D. Reidel Publishing Company for translating the third volume of the treatise into English. Readers familiar with English rather than French now have access to the complete series. This treatise is a reflection of the courses I taught at the Sorbonne from 1950 until 1967 to students in their second cycle (3rd and 4th year) and third cycle (5th and 6th year) working towards a doctorate in this particular field. It is based on the reading of over a thousand articles, and is intended for students as well as for physical chemists, and chemists, research workers and engineers taking an interest in quantum chemistry for its own sake or for its application in industry, pharmacology and the life sciences. Reidel's initiative is particularly valuable because in my opinion Quantum Theory of Chemical Reactivity is the most important of the three volumes of the treatise. Doubtless for this reason only the third volume was published in Japanese by Baifukan, thanks to Professors Hayashi and Sohma.
Two major additions to this revised book are the appendices. One of these describes 100 incidents, illustrating their cause and indicating consequences if appropriate procedures within this guide are not followed.
Author: Katherine Barton
Category: Technology & Engineering
This revised edition of a best-selling book continues to provide a basis for the identification and evaluation of chemical reaction hazards for chemists, engineers, plant personnel, and students. Before undertaking the design of a chemical manufacturing process it is vital that the chemical reactions involved be fully understood, potential hazards assessed, and safety measures planned. Chemical Reaction Hazards aims to help the people responsible for this design and operation to meet the general duties of safety. Two major additions to this revised book are the appendices. One of these describes 100 incidents, illustrating their cause and indicating consequences if appropriate procedures within this guide are not followed. The second provides a practical example of a typical chemical reaction hazard assessment, from consideration of the process description, through experimental testing to the specification of safety measures.
Charge Sensitivity Analysis (CSA) represents a linear response treatment of molecular systems, based upon the chemical potential and hardness/softness concepts established within density functional theory (DFT).
Author: Roman F Nalewajski
Publisher: World Scientific
Charge Sensitivity Analysis (CSA) represents a linear response treatment of molecular systems, based upon the chemical potential and hardness/softness concepts established within density functional theory (DFT). Recently, it has been shown to provide an attractive framework leading to novel approaches to chemical reactivity of open systems. The monograph presents the conceptual and methodological basis of the CSA covering its DFT roots, alternative resolutions and representations, sensitivities of closed and open atomic and molecular systems, charge stability criteria and relaxational effects due to the system environment, and alternative collective modes of charge redistribution. The CSA interaction energy in donor–acceptor systems is investigated in the second-order approximation. In particular, the relaxational contributions to the chemical potential, hardness and softness quantities are examined and their physical implications are summarized. The charge sensitivity concepts for reactive systems include: one- and two-reactant reactivity criteria, mapping relations between equilibrium displacements in the electron population and nuclear position spaces, the intersecting state model of charge transfer processes, intermediate hardness decoupling modes and the minimum energy coordinates, all defined in the electron population space. The conceptual developments are illustrated using recent qualitative and quantitative results on selected molecules, catalytic clusters and chemisorption systems. The CSA description is shown to connect directly to intuitive concepts and rules of chemistry, e.g., those related to interactions between hard/soft acids and bases. Contents:Introductory SurveyAtomic Charge SensitivitiesConcepts and Relations of Molecular Charge Sensitivity AnalysisConcepts for Chemical ReactivityIllustrative Applications to Model Catalytic SystemsCharge Sensitivities in Kohn-Sham TheoryElements of the Orbitally-Resolved CSA Readership: Researchers and graduate students in theoretical and physical chemistry, particularly those studying and modelling elementary processes. keywords:Catalytic/Chemisorption Reaction Meachanisms;Charge-Transfer/Polarization Stages of Chemical Reactions;Charge Sensitivity Criteria of Reactivity;Chemical Reactivity Theory;Chemical Potential/Electronegativity Equalization;Collective Modes for Electronic Structure;Density Functional Theory of Chemical Reactivity;Fukui Functions of Molecular and Reactive Systems;Hardness/Softness Descriptors of Reactivity;Thermodynamic-like Approach to Molecules and Reactants;Molecules and Their Subsystems;Reactivity Concepts and Indices
The lithium may undergo a fusion reaction (see the binding energy curve on page 1096) or it may absorb a neutron, then break apart, forming helium and hydrogen atoms that can undergo fusion. CONCEPT TEST ANSWERS 1. high energy electrons ...
PCET reactions are studied in many branches of chemistry and are omnipresent in biological processes. This book covers recent developments from both the theoretical and experimental points of view.
Author: Sebastião J. Formosinho
Publisher: Royal Society of Chemistry
Proton-coupled electron transfer (PCET) is emerging as an important new class of reactions and, over the past decade, great strides have been made in our understanding of them. PCET reactions are studied in many branches of chemistry and are omnipresent in biological processes. This book covers recent developments from both the theoretical and experimental points of view. It concentrates on the importance of PCET in biological systems and for bioenergetic conversion. The oxidation of water in Photosystem II to produce oxygen, and the reduction of protons to hydrogen by hydrogenase, for energy storage gets particular emphasis. Chemical reactivity is currently explained in terms of several scientific principles. One of them is the bond-breaking-bond-forming process and is conceptually based on potential energy surfaces. Another incorporates the role of Franck-Condon factors resulting from the overlap of vibrational wavefunctions. A third, the so-called solvent reorganization, involves solvent configuration around a charged species. PCET brings together such concepts and links them to quantum mechanical tunnelling of the electron particle. This book uses personal accounts of experimental examples to provide additional insight on this important topic. It starts by presenting a general overview of the main theoretical approaches and experimental applications. The chapters then go on to cover topics including: the application of the Marcus Cross Relation; the solvation of ionic systems; experimental approaches in biological redox systems; metal ion-coupled electron transfer, and electrochemical concerted proton-electron transfers.
Release on 1964 | by University of Michigan. Engineering Summer Conferences, 1964
M65 CHEMICAL REACTIVITY OF SOLID SURFACES An Intensive Course for Engineers and Scientists Summer 1964 104 03 LLLLLLLL The contents and all subject matter that appear herein may. THE UNIVERSITY OF MICHIGAN.
Author: University of Michigan. Engineering Summer Conferences, 1964
The text emphasizes the visual nature of chemistry and illustrates the interrelationship of the macroscopic, symbolic, and particulate levels of chemistry.
Author: John C. Kotz
CHEMISTRY & CHEMICAL REACTIVITY, 7e, INTERNATIONAL EDITION combines thorough instruction with powerful multimedia tools to give you a deeper understanding of general chemistry concepts. The Enhanced Review International Edition combines the text's signature logical organization, macro to micro orientation, and superior art program with new exam preparation sections designed to help students better prepare for multiple chapter examinations. Let's Review sections present study tips, key points lists, and new exam-type questions for multiple chapters grouped according to where most exams occur in the course. The text emphasizes the visual nature of chemistry and illustrates the interrelationship of the macroscopic, symbolic, and particulate levels of chemistry. With clear writing, seamless technology integration, and robust homework/assessment tools, the text equips you with tools to empower the mastery, assignment, and assessment of chemical principles. The art program reveals these three levels in engaging detailù- and is fully integrated with new key media components. The Web-based tutorial ChemistryNOWÖ generates a personalized study plan to meet your specific needs, and includes Go Chemistry mini video lectures and flash cards that offer the perfect quick review. Fully customizable Online Web-Based Learning (OWL) maximizes study time and offers an optional e-book. With hundreds of guided simulations, animations, video clips, and more, CHEMISTRY & CHEMICAL REACTIVITY, INTERNATIONAL EDITION is more completely integrated with accompanying technology than any other text on the market.
400 PAGES PHCHED WITH TIE MOST USEFUL CHEMICAL REACTION DOTO FOUND ANYWHERE This compact yet amazingly comprehensive field index puts essential information on chemical reactions literally at your fingertips! Designed for high-speed ...
Author: Donald A. Drum
Publisher: McGraw-Hill Professional Publishing
400 PAGES PACKED WITH THE MOST USEFUL CHEMICAL REACTION DATA FOUND ANYWHERE! This compact yet amazingly comprehensive field index puts essential information on chemical reactions literally at your fingertips! Designed for high-speed information finding, "Emergency Responder's Guide to Chemical Reactivity & Compatibility Ready Reference" lists chemicals alphabetically by their RGN and the simple, ingenious format provides instant access to data regarding the mixing of two or more chemicals. Instantly you get the information needed to respond to any type of hazardous materials incident. * References some of the most commonly used and transported hazardous materials in the world * Step-by-step directions to help navigate the book easily and effectively, saving time, money and lives * Chemicals are alphabetically listed with their RGN * A resource that can be used in the laboratory or the street * Easy to use and comprehensive in scope Invaluable to anyone involved in emergency response or hazardous materials handling, this hard-working resource fully covers the most commonly used and transported hazardous materials in the world and allows you to react swift enough to save lives, time, money, and equipment.
Release on 1995-04-15 | by American Institute of Chemical Engineers. Center for Chemical Process Safety
Guidelines for Chemical Reactivity Evaluation and Application to Process Design; CONTENTS; List of Tables; List of figures; Preface; Acknowledgments; Glossary; List of Symbols; 1.
Author: American Institute of Chemical Engineers. Center for Chemical Process Safety
Guidelines for Chemical Reactivity Evaluation and Application to Process Design; CONTENTS; List of Tables; List of figures; Preface; Acknowledgments; Glossary; List of Symbols; 1. INTRODUCTION; 2. IDENTIFICATION OF HAZARDOUS CHEMICAL REACTIVITY; 3. CHEMICAL REACTIVITY CONSIDERATIONS IN PROCESS/REACTOR DESIGN AND OPERATION; REFERENCES; INDEX.
The progress in computer technology during the last 10-15 years has enabled the performance of ever more precise quantum mechanical calculations related to structure and interactions of chemical compounds.
Author: Danail D. Bonchev
This is the first book to concentrate on elucidating chemical reactivity from the viewpoint of molecular topology. Describing the most fundamental structural patterns in molecules, topology and graph theory are regarded to be the ideal tools for exploring the relationships between the structure and the properties of chemical compounds. A team of internationally recognized experts from seven countries present a variety of graph-theoretical and topological approaches to chemical reactivity. The specific topics covered include among others, the latest developments in the interplay between graph theory and molecular orbital theory, three dimensional molecular shapes and their changes, isomerization reactions in organic and inorganic chemistry, topological indices and their application to structure-reactivity relationships and mechanistic studies. Useful topology-based reactivity rules and more general principles controlling topology changes in chemical reactions are also presented. For researchers, teachers and students in all areas of chemistry.
Keystone developments of the theory of chemical reactivity are due to Robert G. Parr and co-workers who provided the theoretical basis to formal definitions of empirical concepts that were already used in chemistry such as ...
Category: Technology & Engineering
Theoretical Aspects of Chemical Reactivity provides a broad overview of recent theoretical and computational advancements in the field of chemical reactivity. Contributions have been made by a number of leaders in the field covering theoretical developments to applications in molecular systems and clusters. With an increase in the use of reactivity descriptors, and fundamental theoretical aspects becoming more challenging, this volume serves as an interesting overview where traditional concepts are revisited and explored from new viewpoints, and new varieties of reactivity descriptors are proposed. Includes applications in the frontiers of reactivity principles, and introduces dynamic and statistical viewpoints to chemical reactivity and challenging traditional concepts such as aromaticity. * Written by specialists in the field of chemical reactivity * An authoritative overview of the research and progress * An essential reference material for students
This comprehensive guide helps you develop a deeper intuitive understanding of chapter material through constant reinforcement and practice. Solutions match the problem-solving strategies used in the text.
Author: John C. Kotz
Category: Chemical reactions
Improve your performance at exam time with this manual's detailed solutions to the blue-numbered end-of-chapter Study Questions found in the text. This comprehensive guide helps you develop a deeper intuitive understanding of chapter material through constant reinforcement and practice. Solutions match the problem-solving strategies used in the text.
Decision making, process risk management decisions, documentation, 105-106 Decision point, chemical reactivity tests, 90 Decommissioning, chemical reactivity hazard management, 25 Decomposition pressure test, chemical reactivity tests, ...
Author: Robert W. Johnson
Publisher: John Wiley & Sons
Category: Technology & Engineering
In its recent investigation of chemical reactivity accidents, the US Chemical Safety Board noted a gap in technical guidance and regulatory coverage. This volume closes the gap in technical guidance, helping small and large companies alike identify, address, and manage chemical reactivity hazards. It guides the reader through an analysis of the potential for chemical reactivity accidents to help prevent fires, explosions, toxic chemical releases or chemical spills. This volume is applicable to processes at any scale and is particularly useful for chemists, safety managers, and engineers involved in scale-up. An enclosed CD-ROM provides portable checklists, analysis tools, and a list of additional references. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.