Computational Flow Modeling for Chemical Reactor Engineering


Book Description

The book relates the individual aspects of chemical reactor engineering and computational flow modeling in a coherent way to explain the potential of computational flow modeling for reactor engineering research and practice.




Chemical Reactor Modeling


Book Description

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.




Modeling of Chemical Kinetics and Reactor Design


Book Description

This reference conveys a basic understanding of chemical reactor design methodologies that incorporate both control and hazard analysis. It demonstrates how to select the best reactor for any particular chemical reaction, and how to estimate its size to determine the best operating conditions.




Chemical Reactor Modeling


Book Description

This book closes the gap between Chemical Reaction Engineering and Fluid Mechanics. It provides the basic theory for momentum, heat and mass transfer in reactive systems. Numerical methods for solving the resulting equations as well as the interplay between physical and numerical modes are discussed. The book is written using the standard terminology of this community. It is intended for researchers and engineers who want to develop their own codes, or who are interested in a deeper insight into commercial CFD codes in order to derive consistent extensions and to overcome "black box" practice. It can also serve as a textbook and reference book.




Trickle Bed Reactors


Book Description

This book provides a hybrid methodology for engineering of trickle bed reactors by integrating conventional reaction engineering models with state-of-the-art computational flow models. The content may be used in several ways and at various stages in the engineering process: it may be used as a basic resource for making appropriate reactor engineering decisions in practice; as study material for a course on reactor design, operation, or optimization of trickle bed reactors; or in solving practical reactor engineering problems. The authors assume some background knowledge of reactor engineering and numerical techniques. - Facilitates development of high fidelity models for industrial applications - Facilitates selection and application of appropriate models - Guides development and application of computational models to trickle beds




Beyond the Molecular Frontier


Book Description

Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.




Computational Fluid Dynamics


Book Description

This book is the result of a careful selection of contributors in the field of CFD. It is divided into three sections according to the purpose and approaches used in the development of the contributions. The first section describes the "high-performance computing" (HPC) tools and their impact on CFD modeling. The second section is dedicated to "CFD models for local and large-scale industrial phenomena." Two types of approaches are basically contained here: one concerns the adaptation from global to local scale, - e.g., the applications of CFD to study the climate changes and the adaptations to local scale. The second approach, very challenging, is the multiscale analysis. The third section is devoted to "CFD in numerical modeling approach for experimental cases." Its chapters emphasize on the numerical approach of the mathematical models associated to few experimental (industrial) cases. Here, the impact and the importance of the mathematical modeling in CFD are focused on. It is expected that the collection of these chapters will enrich the state of the art in the CFD domain and its applications in a lot of fields. This collection proves that CFD is a highly interdisciplinary research area, which lies at the interface of physics, engineering, applied mathematics, and computer science.




Chemical Reactor Design


Book Description

A guide to the technical and calculation problems of chemical reactor analysis, scale-up, catalytic and biochemical reactor design Chemical Reactor Design offers a guide to the myriad aspects of reactor design including the use of numerical methods for solving engineering problems. The author - a noted expert on the topic - explores the use of transfer functions to study residence time distributions, convolution and deconvolution curves for reactor characterization, forced-unsteady-state-operation, scale-up of chemical reactors, industrial catalysis, design of multiphasic reactors, biochemical reactors design, as well as the design of multiphase gas-liquid-solid reactors. Chemical Reactor Design contains several examples of calculations and it gives special emphasis on the numerical solutions of differential equations by using the finite differences approximation, which offers the background information for understanding other more complex methods. The book is designed for the chemical engineering academic community and includes case studies on mathematical modeling by using of MatLab software. This important book: - Offers an up-to-date insight into the most important developments in the field of chemical, catalytic, and biochemical reactor engineering - Contains new aspects such as the use of numerical methods for solving engineering problems, transfer functions to study residence time distributions, and more - Includes illustrative case studies on MatLab approach, with emphasis on numerical solution of differential equations using the finite differences approximation Written for chemical engineers, mechanical engineers, chemists in industry, complex chemists, bioengineers, and process engineers, Chemical Reactor Design addresses the technical and calculation problems of chemical reactor analysis, scale-up, as well as catalytic and biochemical reactor design.




Computational Fluid Dynamics for Engineers


Book Description

Computational fluid dynamics, CFD, has become an indispensable tool for many engineers. This book gives an introduction to CFD simulations of turbulence, mixing, reaction, combustion and multiphase flows. The emphasis on understanding the physics of these flows helps the engineer to select appropriate models to obtain reliable simulations. Besides presenting the equations involved, the basics and limitations of the models are explained and discussed. The book combined with tutorials, project and power-point lecture notes (all available for download) forms a complete course. The reader is given hands-on experience of drawing, meshing and simulation. The tutorials cover flow and reactions inside a porous catalyst, combustion in turbulent non-premixed flow, and multiphase simulation of evaporation spray respectively. The project deals with design of an industrial-scale selective catalytic reduction process and allows the reader to explore various design improvements and apply best practice guidelines in the CFD simulations.