Modeling and Simulation of Reactive Flows

Modeling and Simulation of Reactive Flows
Author: A.L. De Bortoli
Publisher: Elsevier
Total Pages: 212
Release: 2015-07-10
Genre: Technology & Engineering
ISBN: 0128029919

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

Transport Processes in Chemically Reacting Flow Systems

Transport Processes in Chemically Reacting Flow Systems
Author: Daniel E. Rosner
Publisher: Butterworth-Heinemann
Total Pages: 571
Release: 2013-10-22
Genre: Technology & Engineering
ISBN: 1483162680

Transport Processes in Chemically Reacting Flow Systems discusses the role, in chemically reacting flow systems, of transport processes—particularly the transport of momentum, energy, and (chemical species) mass in fluids (gases and liquids). The principles developed and often illustrated here for combustion systems are important not only for the rational design and development of engineering equipment (e.g., chemical reactors, heat exchangers, mass exchangers) but also for scientific research involving coupled transport processes and chemical reaction in flow systems. The book begins with an introduction to transport processes in chemically reactive systems. Separate chapters cover momentum, energy, and mass transport. These chapters develop, state, and exploit useful quantitative ""analogies"" between these transport phenomena, including interrelationships that remain valid even in the presence of homogeneous or heterogeneous chemical reactions. A separate chapter covers the use of transport theory in the systematization and generalization of experimental data on chemically reacting systems. The principles and methods discussed are then applied to the preliminary design of a heat exchanger for extracting power from the products of combustion in a stationary (fossil-fuel-fired) power plant. The book has been written in such a way as to be accessible to students and practicing scientists whose background has until now been confined to physical chemistry, classical physics, and/or applied mathematics.

Reactive Flows, Diffusion and Transport

Reactive Flows, Diffusion and Transport
Author: Willi Jäger
Publisher: Springer Science & Business Media
Total Pages: 659
Release: 2007-05-31
Genre: Mathematics
ISBN: 354028396X

The articles in this volume summarize the research results obtained in the former SFB 359 "Reactive Flow, Diffusion and Transport" which has been supported by the DFG over the period 1993-2004. The main subjects are physical-chemical processes sharing the difficulty of interacting diffusion, transport and reaction which cannot be considered separately. The modeling and simulation within this book is accompanied by experiments.

Reactive Flows, Diffusion and Transport

Reactive Flows, Diffusion and Transport
Author: Willi Jäger
Publisher: Springer
Total Pages: 676
Release: 2006-10-16
Genre: Mathematics
ISBN: 9783540283799

The articles in this volume summarize the research results obtained in the former SFB 359 "Reactive Flow, Diffusion and Transport" which has been supported by the DFG over the period 1993-2004. The main subjects are physical-chemical processes sharing the difficulty of interacting diffusion, transport and reaction which cannot be considered separately. The modeling and simulation within this book is accompanied by experiments.

Characterization, Modeling, Monitoring, and Remediation of Fractured Rock

Characterization, Modeling, Monitoring, and Remediation of Fractured Rock
Author: National Academies of Sciences, Engineering, and Medicine
Publisher: National Academies Press
Total Pages: 177
Release: 2021-01-29
Genre: Science
ISBN: 0309373727

Fractured rock is the host or foundation for innumerable engineered structures related to energy, water, waste, and transportation. Characterizing, modeling, and monitoring fractured rock sites is critical to the functioning of those infrastructure, as well as to optimizing resource recovery and contaminant management. Characterization, Modeling, Monitoring, and Remediation of Fractured Rock examines the state of practice and state of art in the characterization of fractured rock and the chemical and biological processes related to subsurface contaminant fate and transport. This report examines new developments, knowledge, and approaches to engineering at fractured rock sites since the publication of the 1996 National Research Council report Rock Fractures and Fluid Flow: Contemporary Understanding and Fluid Flow. Fundamental understanding of the physical nature of fractured rock has changed little since 1996, but many new characterization tools have been developed, and there is now greater appreciation for the importance of chemical and biological processes that can occur in the fractured rock environment. The findings of Characterization, Modeling, Monitoring, and Remediation of Fractured Rock can be applied to all types of engineered infrastructure, but especially to engineered repositories for buried or stored waste and to fractured rock sites that have been contaminated as a result of past disposal or other practices. The recommendations of this report are intended to help the practitioner, researcher, and decision maker take a more interdisciplinary approach to engineering in the fractured rock environment. This report describes how existing tools-some only recently developed-can be used to increase the accuracy and reliability of engineering design and management given the interacting forces of nature. With an interdisciplinary approach, it is possible to conceptualize and model the fractured rock environment with acceptable levels of uncertainty and reliability, and to design systems that maximize remediation and long-term performance. Better scientific understanding could inform regulations, policies, and implementation guidelines related to infrastructure development and operations. The recommendations for research and applications to enhance practice of this book make it a valuable resource for students and practitioners in this field.

Reactive Transport in Porous Media

Reactive Transport in Porous Media
Author: Peter C. Lichtner
Publisher: Walter de Gruyter GmbH & Co KG
Total Pages: 452
Release: 2018-12-17
Genre: Science
ISBN: 1501509799

Volume 34 of Reviews in Mineralogy focuses on methods to describe the extent and consequences of reactive flow and transport in natural subsurface systems. Since the field of reactive transport within the Earth Sciences is a highly multidisciplinary area of research, including geochemistry, geology, physics, chemistry, hydrology, and engineering, this book is an attempt to some extent bridge the gap between these different disciplines. This volume contains the contributions presented at a short course held in Golden, Colorado, October 25-27, 1996 in conjunction with the Mineralogical Society of America's (MSA) Annual Meeting with the Geological Society of America in Denver, Colorado.

Chemically Reacting Flow

Chemically Reacting Flow
Author: Robert J. Kee
Publisher: John Wiley & Sons
Total Pages: 884
Release: 2005-02-18
Genre: Science
ISBN: 047146130X

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.

Numerical Simulation of Reactive Flow

Numerical Simulation of Reactive Flow
Author: Elaine S. Oran
Publisher: Cambridge University Press
Total Pages: 553
Release: 2001
Genre: Science
ISBN: 0521581753

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.

Research Directions in Computational Mechanics

Research Directions in Computational Mechanics
Author: National Research Council
Publisher: National Academies Press
Total Pages: 145
Release: 1991-02-01
Genre: Technology & Engineering
ISBN: 0309046483

Computational mechanics is a scientific discipline that marries physics, computers, and mathematics to emulate natural physical phenomena. It is a technology that allows scientists to study and predict the performance of various productsâ€"important for research and development in the industrialized world. This book describes current trends and future research directions in computational mechanics in areas where gaps exist in current knowledge and where major advances are crucial to continued technological developments in the United States.

Reactive Transport Modeling

Reactive Transport Modeling
Author: Yitian Xiao
Publisher: John Wiley & Sons
Total Pages: 689
Release: 2018-03-14
Genre: Science
ISBN: 1119060028

Teaches the application of Reactive Transport Modeling (RTM) for subsurface systems in order to expedite the understanding of the behavior of complex geological systems This book lays out the basic principles and approaches of Reactive Transport Modeling (RTM) for surface and subsurface environments, presenting specific workflows and applications. The techniques discussed are being increasingly commonly used in a wide range of research fields, and the information provided covers fundamental theory, practical issues in running reactive transport models, and how to apply techniques in specific areas. The need for RTM in engineered facilities, such as nuclear waste repositories or CO2 storage sites, is ever increasing, because the prediction of the future evolution of these systems has become a legal obligation. With increasing recognition of the power of these approaches, and their widening adoption, comes responsibility to ensure appropriate application of available tools. This book aims to provide the requisite understanding of key aspects of RTM, and in doing so help identify and thus avoid potential pitfalls. Reactive Transport Modeling covers: the application of RTM for CO2 sequestration and geothermal energy development; reservoir quality prediction; modeling diagenesis; modeling geochemical processes in oil & gas production; modeling gas hydrate production; reactive transport in fractured and porous media; reactive transport studies for nuclear waste disposal; reactive flow modeling in hydrothermal systems; and modeling biogeochemical processes. Key features include: A comprehensive reference for scientists and practitioners entering the area of reactive transport modeling (RTM) Presented by internationally known experts in the field Covers fundamental theory, practical issues in running reactive transport models, and hands-on examples for applying techniques in specific areas Teaches readers to appreciate the power of RTM and to stimulate usage and application Reactive Transport Modeling is written for graduate students and researchers in academia, government laboratories, and industry who are interested in applying reactive transport modeling to the topic of their research. The book will also appeal to geochemists, hydrogeologists, geophysicists, earth scientists, environmental engineers, and environmental chemists.