Reactive flows encompass a broad range of physical phenomena, interacting over many different time and space scales. Such flows occur in combustion, chemical lasers, the earth's oceans and atmosphere, and stars and interstellar space. Despite the obvious physical differences in these flows, there is a striking similarity in the forms of their descriptive equations. Thus, the considerations and procedures for constructing numerical models of these systems are also similar, and these similarities can be exploited. Moreover, using the latest technology, what were once difficult and expensive computations can now be done on desktop computers. This book takes account of the explosive growth in computer technology and the greatly increased capacity for solving complex reactive flow problems that have occurred since the first edition of Numerical Simulation of Reactive Flow was published in 1987. It presents algorithms useful for reactive flow simulations, describes trade-offs involved in their use, and gives guidance for building and using models of complex reactive flows.

This product, consisting of a CD-ROM and a book, deals with the numerical simulation of reactive transport in porous media using the simulation package SHEMAT/Processing SHEMAT. SHEMAT (Simulator for HEat and MAss Transport) is an easy-to-use, general-purpose reactive transport simulation code for a wide variety of thermal and hydrogeological problems in two or three dimensions. The book is a richly documented manual for users of this software which discusses in detail the coded physical and chemical equations. Thus, it provides the in-depth background required by those who want to apply the code for solving advanced technical and scientific problems. The enclosed companion CD-ROM contains the software and data for all of the case studies. The software includes user-friendly pre- and post-processors which make it very easy to set up a model, run it and view the results, all from one platform. Therefore, the software is also very suitable for academic or technical "hands-on" courses for simulating flow, transport of heat and mass, and chemical reactions in porous media. You can find a link to the updated software on springer.com .

Modelling and Simulation of Reactive Flows presents information on modeling and how to numerically solve reactive flows. The book offers a distinctive approach that combines diffusion flames and geochemical flow problems, providing users with a comprehensive resource that bridges the gap for scientists, engineers, and the industry. Specifically, the book looks at the basic concepts related to reaction rates, chemical kinetics, and the development of reduced kinetic mechanisms. It considers the most common methods used in practical situations, along with equations for reactive flows, and various techniques—including flamelet, ILDM, and Redim—for jet flames and plumes, with solutions for both. In addition, the book includes techniques to accelerate the convergence of numerical simulation, and a discussion on the analysis of uncertainties with numerical results, making this a useful reference for anyone who is interested in both combustion in free flow and in porous media. - Helps readers learn how to apply applications of numerical methods to simulate geochemical kinetics - Presents methods on how to transform the transport equations in several coordinate systems - Includes discussions of the basic concepts related to reaction rates, chemical kinetics, and the development of reduced kinetic mechanisms, including the most common methods used in practical situations - Offers a distinctive approach that combines diffusion flames and geochemical flow problems

Contents: Description of accurate boundary conditions for the simulation of reactive flows. Parallel direct numerical simulation of turbulent reactive flow. Flame-wall interaction and heat flux modelling in turbulent channel flow. A numerical study of laminar flame wall interaction with detailed chemistry: wall temperature effects. Modeling and simulation of turbulent flame kernel evolution. Experimental and theoretical analysis of flame surface density modelling for premixed turbulent combustion. Gradient and counter-gradient transport in turbulent premixed flames. Direct numerical simulation of turbulent flames with complex chemical kinetics. Effects of curvature and unsteadiness in diffusion flames. Implications for turbulent diffusion combustion. Numerical simulations of autoignition in turbulent mixing flows. Stabilization processes of diffusion flames. References.

This book presents methodologies for analysing large data sets produced by the direct numerical simulation (DNS) of turbulence and combustion. It describes the development of models that can be used to analyse large eddy simulations, and highlights both the most common techniques and newly emerging ones. The chapters, written by internationally respected experts, invite readers to consider DNS of turbulence and combustion from a formal, data-driven standpoint, rather than one led by experience and intuition. This perspective allows readers to recognise the shortcomings of existing models, with the ultimate goal of quantifying and reducing model-based uncertainty. In addition, recent advances in machine learning and statistical inferences offer new insights on the interpretation of DNS data. The book will especially benefit graduate-level students and researchers in mechanical and aerospace engineering, e.g. those with an interest in general fluid mechanics, applied mathematics, and the environmental and atmospheric sciences.

Reactive flows encompass a broad range of physical phenomena, interacting over many different time and space scales. Such flows occur in combustion, chemical lasers, the earth's oceans and atmosphere, and in stars. Because of a similarity in their descriptive equations, procedures for constructing numerical models of these systems are also similar, and these similarities can be exploited. Moreover, using the latest technology, what were once difficult and expensive computations can now be done on desktop computers. This new edition of a highly successful book presents algorithms useful for reactive flow simulations, describes trade-offs involved in their use, and gives guidance for building and using models of complex reactive flows. It takes account of the explosive growth in computer technology and the greatly increased capacity for solving complex reactive-flow problems that has occurred since the previous edition was published more than fifteen years ago. An indispensable guide on how to construct, use, and interpret numerical simulations of reactive flows, this book will be welcomed by advanced undergraduate and graduate students, and a wide range of researchers and practitioners in engineering, physics, and chemistry.

Numerical simulation of multiphase reactors with continuous liquid phase provides current research and findings in multiphase problems, which will assist researchers and engineers to advance this field. This is an ideal reference book for readers who are interested in design and scale-up of multiphase reactors and crystallizers, and using mathematical model and numerical simulation as tools. Yang and Mao's book focuses on modeling and numerical applications directly in the chemical, petrochemical, and hydrometallurgical industries, rather than theories of multiphase flow. The content will help you to solve reacting flow problems and/or system design/optimization problems. The fundamentals and principles of flow and mass transfer in multiphase reactors with continuous liquid phase are covered, which will aid the reader's understanding of multiphase reaction engineering. Provides practical applications for using multiphase stirred tanks, reactors, and microreactors, with detailed explanation of investigation methods. Presents the most recent research efforts in this highly active field on multiphase reactors and crystallizers. Covers mathematical models, numerical methods and experimental techniques for multiphase flow and mass transfer in reactors and crystallizers.

Chemical Reactor Modeling closes the gap between Chemical Reaction Engineering and Fluid Mechanics. The second edition consists of two volumes: Volume 1: Fundamentals. Volume 2: Chemical Engineering Applications In volume 1 most of the fundamental theory is presented. A few numerical model simulation application examples are given to elucidate the link between theory and applications. In volume 2 the chemical reactor equipment to be modeled are described. Several engineering models are introduced and discussed. A survey of the frequently used numerical methods, algorithms and schemes is provided. A few practical engineering applications of the modeling tools are presented and discussed. The working principles of several experimental techniques employed in order to get data for model validation are outlined. The monograph is based on lectures regularly taught in the fourth and fifth years graduate courses in transport phenomena and chemical reactor modeling and in a post graduate course in modern reactor modeling at the Norwegian University of Science and Technology, Department of Chemical Engineering, Trondheim, Norway. The objective of the book is to present the fundamentals of the single-fluid and multi-fluid models for the analysis of single and multiphase reactive flows in chemical reactors with a chemical reactor engineering rather than mathematical bias. Organized into 13 chapters, it combines theoretical aspects and practical applications and covers some of the recent research in several areas of chemical reactor engineering. This book contains a survey of the modern literature in the field of chemical reactor modeling.

Complex chemically reacting flow simulations are commonly employed to develop quantitative understanding and to optimize reaction conditions in systems such as combustion, catalysis, chemical vapor deposition, and other chemical processes. Although reaction conditions, geometries, and fluid flow can vary widely among the applications of chemically reacting flows, all applications share a need for accurate, detailed descriptions of the chemical kinetics occurring in the gas-phase or on reactive surfaces. Chemically Reacting Flow: Theory and Practice combines fundamental concepts in fluid mechanics and physical chemistry, assisting the student and practicing researcher in developing analytical and simulation skills that are useful and extendable for solving real-world engineering problems. The first several chapters introduce transport processes, primarily from a fluid-mechanics point of view, incorporating computational simulation from the outset. The middle section targets physical chemistry topics that are required to develop chemically reacting flow simulations, such as chemical thermodynamics, molecular transport, chemical rate theories, and reaction mechanisms. The final chapters deal with complex chemically reacting flow simulations, emphasizing combustion and materials processing. Among other features, Chemically Reacting Flow: Theory and Practice: -Advances a comprehensive approach to interweaving the fundamentals of chemical kinetics and fluid mechanics -Embraces computational simulation, equipping the reader with effective, practical tools for solving real-world problems -Emphasizes physical fundamentals, enabling the analyst to understand how reacting flow simulations achieve their results -Provides a valuable resource for scientists and engineers who use Chemkin or similar software Computer simulation of reactive systems is highly effective in the development, enhancement, and optimization of chemical processes. Chemically Reacting Flow helps prepare both students and professionals to take practical advantage of this powerful capability.

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