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Foundations of Chemical Reaction Network Theory

Author: Martin Feinberg

Publisher: Springer

Published: 2019-01-31

Total Pages: 475

ISBN-13: 3030038580

This book provides an authoritative introduction to the rapidly growing field of chemical reaction network theory. In particular, the book presents deep and surprising theorems that relate the graphical and algebraic structure of a reaction network to qualitative properties of the intricate system of nonlinear differential equations that the network induces. Over the course of three main parts, Feinberg provides a gradual transition from a tutorial on the basics of reaction network theory, to a survey of some of its principal theorems, and, finally, to a discussion of the theory’s more technical aspects. Written with great clarity, this book will be of value to mathematicians and to mathematically-inclined biologists, chemists, physicists, and engineers who want to contribute to chemical reaction network theory or make use of its powerful results.

Reaction Rate Theory and Rare Events

Author: Baron Peters

Publisher: Elsevier

Published: 2017-03-22

Total Pages: 634

ISBN-13: 0444594701

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Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron transfer, and topics from reaction network analysis. It is an essential reference for students, professors and scientists who use reaction rate theory or the theory of rare events. In addition, the book discusses transition state search algorithms, tunneling corrections, transmission coefficients, microkinetic models, kinetic Monte Carlo, transition path sampling, and importance sampling methods. The unified treatment in this book explains why chemical reactions and other rare events, while having many common theoretical foundations, often require very different computational modeling strategies. Offers an integrated approach to all simulation theories and reaction network analysis, a unique approach not found elsewhere Gives algorithms in pseudocode for using molecular simulation and computational chemistry methods in studies of rare events Uses graphics and explicit examples to explain concepts Includes problem sets developed and tested in a course range from pen-and-paper theoretical problems, to computational exercises

Chemical Reaction Networks

Author: Oleg N. Temkin

Publisher: CRC Press

Published: 2020-07-24

Total Pages: 297

ISBN-13: 1000102661

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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 multiroute catalytic and noncatalytic 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.

Out-of-Equilibrium (Supra)molecular Systems and Materials

Author: Nicolas Giuseppone

Publisher: John Wiley & Sons

Published: 2021-03-30

Total Pages: 448

ISBN-13: 3527821988

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A must-have resource that covers everything from out-of-equilibrium chemical systems and materials to dissipative self-assemblies Out-of-Equilibrium Supramolecular Systems and Materials presents a comprehensive overview of the synthetic approaches that use supramolecular bonds in various out-of-thermodynamic equilibrium situations. With contributions from noted experts on the topic, the text contains information on the design of dissipative self-assemblies that maintain their structures when fueled by an external source of energy. The contributors also examine molecules and nanoscale objects and materials that can produce mechanical work based on molecular machines. Additionally, the book explores non-equilibrium supramolecular polymers that can be trapped in kinetically stable states, as well as out-of-equilibrium chemical systems and oscillators that are important to understand the emergence of complex behaviors and, in particular, the origin of life. This important book: Offers comprehensive coverage of fields from design of dissipative self-assemblies to non-equilibrium supramolecular polymers Presents information on a highly emerging and interdisciplinary topic Includes contributions from internationally renowned scientists Written for chemists, physical chemists, biochemists, material scientists, Out-of-Equilibrium Supramolecular Systems and Materials is an indispensable resource written by top scientists in the field.

Stochastic Chemical Reaction Systems in Biology

Author: Hong Qian

Publisher: Springer Nature

Published: 2021-10-18

Total Pages: 364

ISBN-13: 3030862526

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This book provides an introduction to the analysis of stochastic dynamic models in biology and medicine. The main aim is to offer a coherent set of probabilistic techniques and mathematical tools which can be used for the simulation and analysis of various biological phenomena. These tools are illustrated on a number of examples. For each example, the biological background is described, and mathematical models are developed following a unified set of principles. These models are then analyzed and, finally, the biological implications of the mathematical results are interpreted. The biological topics covered include gene expression, biochemistry, cellular regulation, and cancer biology. The book will be accessible to graduate students who have a strong background in differential equations, the theory of nonlinear dynamical systems, Markovian stochastic processes, and both discrete and continuous state spaces, and who are familiar with the basic concepts of probability theory.

Foundations of Chemistry

Author: Philippa B. Cranwell

Publisher: John Wiley & Sons

Published: 2021-07-30

Total Pages: 595

ISBN-13: 1119513901

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FOUNDATIONS OF CHEMISTRY A foundation-level guide to chemistry for physical, life sciences and engineering students Foundations of Chemistry: An Introductory Course for Science Students fills a gap in the literature to provide a basic chemistry text aimed at physical sciences, life sciences and engineering students. The authors, noted experts on the topic, offer concise explanations of chemistry theory and the principles that are typically reviewed in most one year foundation chemistry courses and first year degree-level chemistry courses for non-chemists. The authors also include illustrative examples and information on the most recent applications in the field. Foundations of Chemistry is an important text that outlines the basic principles in each area of chemistry - physical, inorganic and organic - building on prior knowledge to quickly expand and develop a student's knowledge and understanding. Key features include: Worked examples showcase core concepts and practice questions. Margin comments signpost students to knowledge covered elsewhere and are used to highlight key learning objectives. Chapter summaries list the main concepts and learning points.

Design and Analysis of Biomolecular Circuits

Author: Heinz Koeppl

Publisher: Springer Science & Business Media

Published: 2011-05-21

Total Pages: 407

ISBN-13: 1441967664

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The book deals with engineering aspects of the two emerging and intertwined fields of synthetic and systems biology. Both fields hold promise to revolutionize the way molecular biology research is done, the way today’s drug discovery works and the way bio-engineering is done. Both fields stress the importance of building and characterizing small bio-molecular networks in order to synthesize incrementally and understand large complex networks inside living cells. Reminiscent of computer-aided design (CAD) of electronic circuits, abstraction is believed to be the key concept to achieve this goal. It allows hiding the overwhelming complexity of cellular processes by encapsulating network parts into abstract modules. This book provides a unique perspective on how concepts and methods from CAD of electronic circuits can be leveraged to overcome complexity barrier perceived in synthetic and systems biology.

Fundamentals of Chemical Reactor Engineering

Author: Timur Dogu

Publisher: John Wiley & Sons

Published: 2021-10-26

Total Pages: 356

ISBN-13: 1119755891

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FUNDAMENTALS OF CHEMICAL REACTOR ENGINEERING A comprehensive introduction to chemical reactor engineering from an industrial perspective In Fundamentals of Chemical Reactor Engineering: A Multi-Scale Approach, a distinguished team of academics delivers a thorough introduction to foundational concepts in chemical reactor engineering. It offers readers the tools they need to develop a firm grasp of the kinetics and thermodynamics of reactions, hydrodynamics, transport processes, and heat and mass transfer resistances in a chemical reactor. This textbook describes the interaction of reacting molecules on the molecular scale and uses real-world examples to illustrate the principles of chemical reactor analysis and heterogeneous catalysis at every scale. It includes a strong focus on new approaches to process intensification, the modeling of multifunctional reactors, structured reactor types, and the importance of hydrodynamics and transport processes in a chemical reactor. With end-of-chapter problem sets and multiple open-ended case studies to promote critical thinking, this book also offers supplementary online materials and an included instructor’s manual. Readers will also find: A thorough introduction to the rate concept and species conservation equations in reactors, including chemical and flow reactors and the stoichiometric relations between reacting species A comprehensive exploration of reversible reactions and chemical equilibrium, including the thermodynamics of chemical reactions and different forms of the equilibrium constant Practical discussions of chemical kinetics and analysis of batch reactors, including batch reactor data analysis In-depth examinations of ideal flow reactors, CSTR, and plug flow reactor models Ideal for undergraduate and graduate chemical engineering students studying chemical reactor engineering, chemical engineering kinetics, heterogeneous catalysis, and reactor design, Fundamentals of Chemical Reactor Engineering is also an indispensable resource for professionals and students in food, environmental, and materials engineering.

Fundamentals of Food Reaction Technology

Author: Mary D. Earle

Publisher: Royal Society of Chemistry

Published: 2003

Total Pages: 204

ISBN-13: 9781904007531

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Food processing has moved on from being a craft to a modern technology. In order to meet the sensory quality, safety, nutrition, health, economy and novelty demanded of food products by consumers, it is necessary to improve food processing operations. This improvement involves better prediction and control of the changes that occur during the processing of food materials, and the rates of changes and the factors that influence them. This book introduces the methods of reaction technology, illustrating what has been and can be applied in real situations. It builds a framework for the application of reaction technology, and uses this in a straightforward way, with understandable examples set within an industrial context. The book starts by setting out the general principles governing change in the nature and chemistry of a food constituent, and extends this to include the dynamics of the reactions of the many chemical constituents of food raw materials and ingredients. Fundamentals of Food Reaction Technology is intended for those working in process design, organisation and control, and will give technical managers an overall view of how the application of reaction technology in the future can lead to a "high tech" food industry. It will also be a valuable guide for students, lecturers and practitioners in development and process technology and engineering.

Introduction to Chemical Engineering Analysis Using Mathematica

Author: Henry C. Foley

Publisher: Academic Press

Published: 2021-06-16

Total Pages: 954

ISBN-13: 0128200529

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Introduction to Chemical Engineering Analysis Using Mathematica, Second Edition reviews the processes and designs used to manufacture, use, and dispose of chemical products using Mathematica, one of the most powerful mathematical software tools available for symbolic, numerical, and graphical computing. Analysis and computation are explained simultaneously. The book covers the core concepts of chemical engineering, ranging from the conservation of mass and energy to chemical kinetics. The text also shows how to use the latest version of Mathematica, from the basics of writing a few lines of code through developing entire analysis programs. This second edition has been fully revised and updated, and includes analyses of the conservation of energy, whereas the first edition focused on the conservation of mass and ordinary differential equations. Offers a fully revised and updated new edition, extended with conservation of energy Covers a large number of topics in chemical engineering analysis, particularly for applications to reaction systems Includes many detailed examples Contains updated and new worked problems at the end of the book Written by a prominent scientist in the field