Computational Flow Modeling For Chemical Reactor Engineering

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 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.

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.

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

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.

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.

Table of contents

Chemical Engineering Process Simulation, Second Edition guides users through chemical processes and unit operations using the main simulation software used in the industrial sector. The book helps predict the characteristics of a process using mathematical models and computer-aided process simulation tools, as well as how to model and simulate process performance before detailed process design takes place. Content coverage includes steady-state and dynamic simulation, process design, control and optimization. In addition, readers will learn about the simulation of natural gas, biochemical, wastewater treatment and batch processes. Provides an updated and expanded new edition that contains 60-70% new content Guides readers through chemical processes and unit operations using the primary simulation software used in the industrial sector Covers the fundamentals of process simulation, theory and advanced applications Includes case studies of various difficulty levels for practice and for applying developed skills Features step-by-step guides to using UniSim Design, SuperPro Designer, Symmetry, Aspen HYSYS and Aspen Plus for process simulation novices