Princeton University Press, 1989. - 283 pages.
Chemical kinetics may be considered as a prototype of nonlinear
science, since the velocities of a reaction are generally nonlinear
functions of the quantities of reactants. Although an actual
chemical process is spatially extensive and involves very large
numbers of constituent particles and a considerable number of
intermediate transition compounds, the behavior-equilibria,
periodicity, or chaos-may be described by the stoichiometric
equations for a relatively small number of reactants. The
macroscopic description of the kinetics can be deterministic, by a
low-order system of nonlinear ordinary differential equations with
polynomial right-hand sides, or stochastic, in terms of Markov jump
processes.
This volume surveys the mathematical models of chemical
kinetics-their algebraic structure, mass action deterministic
models, continuous time, discrete state stochastic models, and
spatial effects mediated by diffusion. Further, the metalanguage of
chemical kinetics is used to describe behavior in systems of
interacting components, in neurochemistry, population biology, and
ecology.
Erdi P., Toth J. Mathematical Models of Chemical Reactions: Theory and Applications of Deterministic and Stochastic Models
Похожие разделы
- Академическая и специальная литература
- Биологические дисциплины
- Матметоды и моделирование в биологии
- Академическая и специальная литература
- Информатика и вычислительная техника
- Компьютерное моделирование
- Академическая и специальная литература
- Химия и химическая промышленность
- Процессы и аппараты химической технологии
- Проектирование и расчет химических реакторов
Смотрите также
Beers K.J. Numerical Methods for Chemical Engineering: Applications in MATLAB
Cambridge University Press, 2006. - 486 pages. Suitable for a first year graduate course, this textbook unites the applications of numerical mathematics and scientific computing to the practice of chemical engineering. Written in a pedagogic style, the book describes basic linear and nonlinear algebraic systems all the way through to stochastic methods, Bayesian statistics and parameter estimation. These subjects are developed at a level of math...
Bonchev D., Rouvray D.H. (editors) Chemical Graph Theory: Introduction and Fundamentals (Mathematical Chemistry, Vol. 1)
Taylor & Francis. - 1991. - 300 pages. This volume presents the fundamentals of graph theory and then goes on to discuss specific chemical applications. Chapter 1 provides a historical setting for the current upsurge of interest in chemical graph theory. chapter 2 gives a full background of the basic ideas and mathematical formalism of graph theory and includes such chemically relevant notions as connectedness, graph matrix representations,...
Corsano G., Montagna J.M., Iribarren O.A., Aguirre P.A. Mathematical Modeling Approaches for Optimization of Chemical Processes
Nova Science Publishers, 2009. - 91 pages. Mathematical modelling is a powerful tool for solving optimisation problems in chemical engineering. In this work several models are proposed aimed at helping to make decisions about different aspects of the processes lifecycle, from the synthesis and design steps up to the operation and scheduling. Using an example of the Sugar Cane industry, several models are formulated and solved in order to assess...
Englezos P. Applied Parameter Estimation for Chemical Engineers
CRC Press; 1st edition. 2000. 462p This book determines adjustable parameters in mathematical models that describe steady state or dynamic systems, presenting the most important optimization methods used for parameter estimation. It focuses on the Gauss-Newton method and its modifications for systems and processes represented by algebraic or differential equation models.
Faulon J.L., Bender A. Handbook of Chemoinformatics Algorithms
Jean-Loup Faulon, Andreas Bender. Handbook of Chemoinformatics Algorithms. Chapman and Hall/CRC, 2010. - 434 p. - ISBN: 1420082922 (Chapman & Hall/CRC Mathematical & Computational Biology) Unlike in the related area of bioinformatics, few books currently exist that document the techniques, tools, and algorithms of chemoinformatics. Bringing together worldwide experts in the field, the Handbook of Chemoinformatics Algorithms provides an o...
Jensen F. Introduction to Computational Chemistry
2nd ed. , 2007. - 620 p. Introduction to Computational Chemistry Frank Jensen Odense University, Denmark Computational chemistry is a rapidly emerging and developing area, combining theoretical models with computers to investigate a variety of chemical phenomena. Increasingly applied throughout chemistry, computational methods are becoming an integral part of modern chemical research. Introduction to Computational Chemistry provides a comprehensi...
Milewski J., Swirski K., Santarelli M., Leone P. Advanced Methods of Solid Oxide Fuel Cell Modeling
Springer-Verlag, 2011. 231 p. ISBN: ISBN 978-0-85729-261-2 Fuel cells are widely regarded as the future of the power and transportation industries. Intensive research in this area now requires new methods of fuel cell operation modeling and cell design. Typical mathematical models are based on the physical process description of fuel cells and require a detailed knowledge of the microscopic properties that govern both chemical and electrochemic...
Osenbroch Lene Kristin Hjertager. Experimental and Computational Study of Mixing and Fast Chemical Reactions in Turbulent Liquid Flows
Mixing and fast chemical reactions in turbulent liquid flows are studied experimentally and computationally. Experiments are carried out for both passive and reactive mixing in order to obtain local velocity and concentrations. The experimental findings are used to test the performance of numerical models for turbulence, mixing and chemical reactions. Ph.D. thesis Aalborg University Esbjerg, 2004
Rangaiah G. Stochastic Global Optimization Techniques and Applications in Chemical Engineering: Techniques and Applications in Chemical Engineering
World Scientific Publishing Company. 2010. 724p Optimization has played a key role in the design, planning and operation of chemical and related processes, for several decades. Global optimization has been receiving considerable attention in the past two decades. Of the two types of techniques for global optimization, stochastic global optimization is applicable to any type of problems having non-differentiable functions, discrete variables and/o...
Stewart Warren E., Caracotsios Michael. Computer-Aided Modeling of Reactive Systems
Wiley-AIChE, 2008. - 268 pages Learn to apply modeling and parameter estimation tools and strategies to chemicalprocesses using your personal computer This book introduces readers to powerful parameter estimation and computational methods for modeling complex chemical reactions and reaction processes. It presents useful mathematical models, numerical methods for solving them, and statistical methods for testing and discriminating candidate mod...