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Foundations of Chemical Reaction Network Theory

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Release : 2019-01-31
Genre : Mathematics
Kind : eBook
Book Rating : 580/5 ( reviews)

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Book Synopsis Foundations of Chemical Reaction Network Theory by : Martin Feinberg

Download or read book Foundations of Chemical Reaction Network Theory written by Martin Feinberg. This book was released on 2019-01-31. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Topics in Chemical Reaction Network Theory

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Release : 2011
Genre :
Kind : eBook
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Book Synopsis Topics in Chemical Reaction Network Theory by : Matthew Douglas Johnston

Download or read book Topics in Chemical Reaction Network Theory written by Matthew Douglas Johnston. This book was released on 2011. Available in PDF, EPUB and Kindle. Book excerpt: Under the assumption of mass-action kinetics, systems of chemical reactions can give rise to a wide variety of dynamical behaviour, including stability of a unique equilibrium concentration, multistability, periodic behaviour, chaotic behaviour, switching behaviour, and many others. In their canonical papers, M. Feinberg, F. Horn and R. Jackson developed so-called Chemical Reaction Network theory which drew a strong connection between the topological structure of the reaction graph and the dynamical behaviour of mass-action systems. A significant amount of work since that time has been conducted expanding upon this connection and fleshing out the theoretical underpinnings of the theory. In this thesis, I focus on three topics within the scope of Chemical Reaction Network theory. 1. Linearization: It is known that complex balanced systems possess within each invariant space of the system a unique positive equilibrium concentration and that that concentration is locally asymptotically stable. F. Horn and R. Jackson determined this through the use of an entropy-like Lyapunov function. ... 2. Persistence: A well-known limitation of the theory is that the stabilities of the positive equilibrium concentrations guaranteed are locally limited. The conjecture that the equilibrium concentrations of complex balanced systems are global attractors of their respective invariant spaces has become known as the Global Attractor Conjecture and has received significant attention recently. This theory has been significantly aided by the realization that trajectories not tending toward the set of positive equilibria must tend toward the boundary of the positive orthant; consequently, persistence is a sufficient condition to affirm the conjecture. ... 3. Linear Conjugacy: It is known that under the mass-action assumption two reaction networks with disparate topological structure may give rise to the same set of differential equations and therefore exhibit the same qualitative dynamical behaviour.

Reaction Rate Theory and Rare Events

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Release : 2017-03-22
Genre : Technology & Engineering
Kind : eBook
Book Rating : 701/5 ( reviews)

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Book Synopsis Reaction Rate Theory and Rare Events by : Baron Peters

Download or read book Reaction Rate Theory and Rare Events written by Baron Peters. This book was released on 2017-03-22. Available in PDF, EPUB and Kindle. Book excerpt: 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

Homogeneous Catalysis Concepts and Basics

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Release : 2024-08-15
Genre : Technology & Engineering
Kind : eBook
Book Rating : 822/5 ( reviews)

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Book Synopsis Homogeneous Catalysis Concepts and Basics by : Mohammad Reza Rahimpour

Download or read book Homogeneous Catalysis Concepts and Basics written by Mohammad Reza Rahimpour. This book was released on 2024-08-15. Available in PDF, EPUB and Kindle. Book excerpt: Homogeneous Hydrogenation and Metathesis Reactions, a volume in the Advances in Catalysis series, covers hydrogenation and metathesis reactions in two separate sections. The first section is devoted to homogeneous hydrogenation reactions and related processes, including hydrogenation of alkenes, esters, olefins, etc. In the second section, the metathesis reactions of olefins, alkenes, and alkynes are presented. In addition, the industrial application of homogeneous metathesis reactions is investigated. - Includes thermodynamic and kinetic studies of homogeneous catalysts - Describes transition metal, ligand and solvent role in homogeneous catalysts - Explains preparation, characterization, deactivation and regeneration of homogeneous catalysts - Presents homogeneous catalysts by clusters, carbenes, fixed metal-complexes, and liquid-liquid multiphase catalysts

DNA Computing and Molecular Programming

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Release : 2019-07-30
Genre : Computers
Kind : eBook
Book Rating : 071/5 ( reviews)

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Book Synopsis DNA Computing and Molecular Programming by : Chris Thachuk

Download or read book DNA Computing and Molecular Programming written by Chris Thachuk. This book was released on 2019-07-30. Available in PDF, EPUB and Kindle. Book excerpt: 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.

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