Foundations of Chemical Reaction Network Theory

Foundations of Chemical Reaction Network Theory PDF Author: Martin Feinberg
Publisher: Springer
ISBN: 3030038580
Category : Mathematics
Languages : en
Pages : 475

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Book Description
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.

Foundations of Chemical Reaction Network Theory

Foundations of Chemical Reaction Network Theory PDF Author: Martin Feinberg
Publisher: Springer
ISBN: 3030038580
Category : Mathematics
Languages : en
Pages : 475

Get Book

Book Description
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.

Chemical Reaction Networks

Chemical Reaction Networks PDF Author: Oleg N. Temkin
Publisher: CRC Press
ISBN: 1000102661
Category : Science
Languages : en
Pages : 297

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Book Description
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.

Reaction Rate Theory and Rare Events

Reaction Rate Theory and Rare Events PDF Author: Baron Peters
Publisher: Elsevier
ISBN: 0444594701
Category : Technology & Engineering
Languages : en
Pages : 634

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Book Description
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

Stochastic Chemical Reaction Systems in Biology

Stochastic Chemical Reaction Systems in Biology PDF Author: Hong Qian
Publisher: Springer Nature
ISBN: 3030862526
Category : Mathematics
Languages : en
Pages : 364

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Book Description
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

Foundations of Chemistry PDF Author: Philippa B. Cranwell
Publisher: John Wiley & Sons
ISBN: 1119513901
Category : Science
Languages : en
Pages : 595

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Book Description
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

Design and Analysis of Biomolecular Circuits PDF Author: Heinz Koeppl
Publisher: Springer Science & Business Media
ISBN: 1441967664
Category : Technology & Engineering
Languages : en
Pages : 407

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Book Description
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.

DNA Computing and Molecular Programming

DNA Computing and Molecular Programming PDF Author: Chris Thachuk
Publisher: Springer
ISBN: 3030268071
Category : Computers
Languages : en
Pages : 237

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Book Description
This book constitutes the refereed proceedings of the 25th International Conference on DNA Computing and Molecular Programming, DNA 25, held in Seattle, WA, USA, in August 2019. The 12 full papers presented were carefully selected from 19 submissions. The papers cover a wide range of topics relating to biomolecular computing such as algorithms and models for computation on biomolecular systems; computational processes in vitro and in vivo; molecular switches, gates, devices, and circuits; molecular folding and self-assembly of nanostructures; analysis and theoretical models of laboratory techniques; molecular motors and molecular robotics; information storage; studies of fault-tolerance and error correction; software tools for analysis, simulation, anddesign; synthetic biology and in vitro evolution; and applications in engineering, physics, chemistry, biology, and medicine.

Fundamentals of Chemical Reactor Engineering

Fundamentals of Chemical Reactor Engineering PDF Author: Timur Dogu
Publisher: John Wiley & Sons
ISBN: 1119755891
Category : Technology & Engineering
Languages : en
Pages : 356

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Book Description
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.

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

Out-of-Equilibrium (Supra)molecular Systems and Materials PDF Author: Nicolas Giuseppone
Publisher: John Wiley & Sons
ISBN: 3527346155
Category : Science
Languages : en
Pages : 450

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Book Description
Out-of-Equilibrium (Supra)molecular Systems and Materials A must-have resource that covers everything from out-of-equilibrium chemical systems to active materials Out-of-Equilibrium (Supra)molecular Systems and Materials presents a comprehensive overview of the synthetic approaches that use molecular and supramolecular bonds in various out-of-equilibrium situations. With contributions from noted experts on the topic, the text contains information on the design of dissipative chemical systems that adapt their structures in space and time when fueled by an external source of energy. The contributors also examine molecules, nanoscale objects and materials that can produce mechanical work based on molecular machines. Additionally, the book explores living supramolecular polymers that can be trapped in kinetically stable states, as well as out-of-equilibrium chemical networks 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 out-of-equilibrium self-assemblies to molecular machines and active materials 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 (Supra)molecular Systems and Materials is an indispensable resource written by top scientists in the field.

Computer Algebra in Scientific Computing

Computer Algebra in Scientific Computing PDF Author: François Boulier
Publisher: Springer Nature
ISBN: 3030600262
Category : Computers
Languages : en
Pages : 644

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Book Description
This book constitutes the refereed proceedings of the 22nd International Workshop on Computer Algebra in Scientific Computing, CASC 2020, held in Linz, Austria, in September 2020. The conference was held virtually due to the COVID-19 pandemic. The 34 full papers presented together with 2 invited talks were carefully reviewed and selected from 41 submissions. They deal with cutting-edge research in all major disciplines of computer algebra. The papers cover topics such as polynomial algebra, symbolic and symbolic-numerical computation, applications of symbolic computation for investigating and solving ordinary differential equations, applications of CAS in the investigation and solution of celestial mechanics problems, and in mechanics, physics, and robotics.