Modeling and Simulation of Heterogeneous Catalytic Reactions

Modeling and Simulation of Catalytic Reactors for Petroleum Refining deals with fundamental descriptions of the main conversion processes employed in the petroleum refining industry: catalytic hydrotreating, catalytic reforming, and fluid catalytic cracking. Common approaches for modeling of catalytic reactors for steady-state and dynamic simulations are also described and analyzed. Aspects such as thermodynamics, reaction kinetics, process variables, process scheme, and reactor design are discussed in detail from both research and commercial points of view. Results of simulation with the developed models are compared with those determined at pilot plant scale as well as commercial practice. Kinetics data used in the reactor model are either taken from the literature or obtained under controlled experiments at the laboratory.

Explores wide-ranging applications of modeling and simulation techniques that allow readers to conduct research and ask «What if??» Principles of Modeling and Simulation: A Multidisciplinary Approach is the first book to provide an introduction to modeling and simulation techniques across diverse areas of study. Numerous researchers from the fields of social science, engineering, computer science, and business have collaborated on this work to explore the multifaceted uses of computational modeling while illustrating their applications in common spreadsheets. The book is organized into three succinct parts: Principles of Modeling and Simulation provides a brief history of modeling and simulation, outlines its many functions, and explores the advantages and disadvantages of using models in problem solving. Two major reasons to employ modeling and simulation are illustrated through the study of a specific problem in conjunction with the use of related applications, thus gaining insight into complex concepts. Theoretical Underpinnings examines various modeling techniques and introduces readers to two significant simulation concepts: discrete event simulation and simulation of continuous systems. This section details the two primary methods in which humans interface with simulations, and it also distinguishes the meaning, importance, and significance of verification and validation. Practical Domains delves into specific topics related to transportation, business, medicine, social science, and enterprise decision support. The challenges of modeling and simulation are discussed, along with advanced applied principles of modeling and simulation such as representation techniques, integration into the application infrastructure, and emerging technologies. With its accessible style and wealth of real-world examples, Principles of Modeling and Simulation: A Multidisciplinary Approach is a valuable book for modeling and simulation courses at the upper-undergraduate and graduate levels. It is also an indispensable reference for researchers and practitioners working in statistics, mathematics, engineering, computer science, economics, and the social sciences who would like to further develop their understanding and knowledge of the field.

Simulation is the art of using tools – physical or conceptual models, or computer hardware and software, to attempt to create the illusion of reality. The discipline has in recent years expanded to include the modelling of systems that rely on human factors and therefore possess a large proportion of uncertainty, such as social, economic or commercial systems. These new applications make the discipline of modelling and simulation a field of dynamic growth and new research. Stanislaw Raczynski outlines the considerable and promising research that is being conducted to counter the problems of uncertainty surrounding the methods used to approach these new applications. It aims to stimulate the reader into seeking out new tools for modelling and simulation. Examines the state-of-the-art in recent research into methods of approaching new applications in the field of modelling and simulation Provides an introduction to new modelling tools such as differential inclusions, metric structures in the space of models, semi-discrete events, and use of simulation in parallel optimization techniques Discusses recently developed practical applications: for example the PASION simulation system, stock market simulation, a new fluid dynamics tool, manufacturing simulation and the simulation of social structures Illustrated throughout with a series of case studies Modelling and Simulation: The Computer Science of Illusion will appeal to academics, postgraduate students, researchers and practitioners in the modelling and simulation of industrial computer systems. It will also be of interest to those using simulation as an auxiliary tool.

The definite guide to the theory, knowledge, technical expertise, and ethical considerations that define the M&S profession From traffic control to disaster management, supply chain analysis to military logistics, healthcare management to new drug discovery, modeling and simulation (M&S) has become an essential tool for solving countless real-world problems. M&S professionals are now indispensable to how things get done across virtually every aspect of modern life. This makes it all the more surprising that, until now, no effort has been made to systematically codify the core theory, knowledge, and technical expertise needed to succeed as an M&S professional. This book brings together contributions from experts at the leading edge of the modeling and simulation profession, worldwide, who share their priceless insights into issues which are fundamental to professional success and career development in this critically important field. Running as a common thread throughout the book is an emphasis on several key aspects of the profession, including the essential body of knowledge underlying the M&S profession; the technical discipline of M&S; the ethical standards that should guide professional conduct; and the economic and commercial challenges today’s M&S professionals face. • Demonstrates applications of M&S tools and techniques in a variety of fields—such as engineering, operations research, and cyber environments—with over 500 types of simulations • Highlights professional and academic aspects of the field, including preferred programming languages, professional academic and certification programs, and key international societies • Shows why M&S professionals must be fully versed in the theory, concepts, and tools needed to address the challenges of cyber environments The Profession of Modeling and Simulation is a valuable resource for M&S practitioners, developers, and researchers working in industry and government. Simulation professionals, including administrators, managers, technologists, faculty members, and scholars within the physical sciences, life sciences, and engineering fields will find it highly useful, as will students planning to pursue a career in the M&S profession. “ …nearly three dozen experts in Modeling and Simulation (M&S) come together to make a compelling case for the recognition of M&S as a profession… Important reading for anyone seeking to elevate the standing of this vital field.” Alfred (Al) Grasso, President & CEO, The MITRE Corporation Andreas Tolk, PhD, is Technology Integrator for the Modeling, Simulation, Experimentation, and Analytics Division of The MITRE Corporation, an adjunct professor in the Department of Engineering Management and Systems Engineering and the Department for Modeling, Simulation, and Visualization Engineering at Old Dominion University, and an SCS fellow. Tuncer ?ren, PhD, is Professor Emeritus of Computer Science at the University of Ottawa. He is an SCS fellow and an inductee to SCS Modeling and Simulation Hall of Fame. His research interests include advancing methodologies, ethics, body of knowledge, and terminology of modeling and simulation.

Demonstrates the advantages of catalytic cascade reactions for synthesizing natural products and pharmaceuticals Riding the wave of green chemistry, catalytic cascade reactions have become one of the most active research areas in organic synthesis. During a cascade reaction, just one reaction solvent, one workup procedure, and one purification step are needed, thus significantly increasing synthetic efficiency. Featuring contributions from an international team of pioneers in the field, Catalytic Cascade Reactions demonstrates the versatility and application of these reactions for synthesizing valuable compounds. The book examines both organocatalysis and transition-metal catalysis reactions, bringing readers up to date with the latest discoveries and activities in all major areas of catalytic cascade reaction research. Catalytic Cascade Reactions begins with three chapters dedicated to organocatalytic cascade reactions, exploring amines, Br?nsted acids, and the application of organocatalytic cascade reactions in natural product synthesis and drug discovery. Next, the book covers: Gold-catalyzed cascade reactions Cascade reactions catalyzed by ruthenium, iron, iridium, rhodium, and copper Palladium-catalyzed cascade reactions of alkenes, alkynes, and allenes Application of transition-metal catalyzed cascade reactions in natural product synthesis and drug discovery Engineering mono- and multifunctional nanocatalysts for cascade reactions Multiple-catalyst-promoted cascade reactions All chapters are thoroughly referenced, providing quick access to important original research findings and reviews so that readers can explore individual topics in greater depth. Drawing together and analyzing published findings scattered across the literature, this book provides a single source that encapsulates our current understanding of catalytic cascade processes. Moreover, it sets the stage for the development of new catalytic cascade reactions and their applications.

Systems engineering is the design of a complex interconnection of many elements (a system) to maximize a specific measure of system performance. It consists of two parts: modeling, in which each element of the system and its performance criteria are described; and optimization in which adjustable elements are tailored to allow peak performance. Systems engineering is applied to vast numbers of problems in industry and the military. An example of systems engineering at work is the control of the timing of thousands of city traffic lights to maximize traffic flow. The complex and intricate field of electronics and computers is perfectly suited for systems engineering analysis and in turn, advances in communications and computer technology have made more advanced systems engineering problems solvable. Thus, the two areas fed off of one another. This book is a basic introduction to the use of models and methods in the engineering design of systems. It is aimed at students as well as practicing engineers. The concept of the «systems of systems» is discussed extensively, after a critical comparison of the different definitions and a range of various practical illustrations. It also provides key answers as to what a system of systems is and how its complexity can be mastered.

Computer modeling and simulation (M&S) allows engineers to study and analyze complex systems. Discrete-event system (DES)-M&S is used in modern management, industrial engineering, computer science, and the military. As computer speeds and memory capacity increase, so DES-M&S tools become more powerful and more widely used in solving real-life problems. Based on over 20 years of evolution within a classroom environment, as well as on decades-long experience in developing simulation-based solutions for high-tech industries, Modeling and Simulation of Discrete-Event Systems is the only book on DES-M&S in which all the major DES modeling formalisms – activity-based, process-oriented, state-based, and event-based – are covered in a unified manner: A well-defined procedure for building a formal model in the form of event graph, ACD, or state graph Diverse types of modeling templates and examples that can be used as building blocks for a complex, real-life model A systematic, easy-to-follow procedure combined with sample C# codes for developing simulators in various modeling formalisms Simple tutorials as well as sample model files for using popular off-the-shelf simulators such as SIGMA®, ACE®, and Arena® Up-to-date research results as well as research issues and directions in DES-M&S Modeling and Simulation of Discrete-Event Systems is an ideal textbook for undergraduate and graduate students of simulation/industrial engineering and computer science, as well as for simulation practitioners and researchers.

This unique book presents simple, easy-to-use, but effective short codes as well as virtual tools that can be used by electrical, electronic, communication, and computer engineers in a broad range of electrical engineering problems Electromagnetic modeling is essential to the design and modeling of antenna, radar, satellite, medical imaging, and other applications. In this book, author Levent Sevgi explains techniques for solving real-time complex physical problems using MATLAB-based short scripts and comprehensive virtual tools. Unique in coverage and tutorial approach, Electromagnetic Modeling and Simulation covers fundamental analytical and numerical models that are widely used in teaching, research, and engineering designs—including mode and ray summation approaches with the canonical 2D nonpenetrable parallel plate waveguide as well as FDTD, MoM, and SSPE scripts. The book also establishes an intelligent balance among the essentials of EM MODSIM: The Problem (the physics), The Theory and Models (mathematical background and analytical solutions), and The Simulations (code developing plus validation, verification, and calibration). Classroom tested in graduate-level and short courses, Electromagnetic Modeling and Simulation: Clarifies concepts through numerous worked problems and quizzes provided throughout the book Features valuable MATLAB-based, user-friendly, effective engineering and research virtual design tools Includes sample scenarios and video clips recorded during characteristic simulations that visually impact learning—available on wiley.com Provides readers with their first steps in EM MODSIM as well as tools for medium and high-level code developers and users Electromagnetic Modeling and Simulation thoroughly covers the physics, mathematical background, analytical solutions, and code development of electromagnetic modeling, making it an ideal resource for electrical engineers and researchers.

Volume 3 begins with an introduction to which are added four chapters focused on modeling and flow simulation in an environment in 2 or 3 dimensions (2D or 3D). They deal with different cases taken from situations found in the field. A conclusion comes close this third book: – The different software used in this third volume; – Computer simulation of discrete flows; – Mixed flow simulation; – Flows in 3D and the evacuation simulation; – Flows in 3D for conveying and storage The conclusion discusses the future developments of the software and their integration into society. At the end of each volume is a bibliography and a list of web links. There is also a glossary explaining some abbreviations, acronyms and some very specific terminology of logistics and operations research.

This concise and clear introduction to the topic requires only basic knowledge of calculus and linear algebra – all other concepts and ideas are developed in the course of the book. Lucidly written so as to appeal to undergraduates and practitioners alike, it enables readers to set up simple mathematical models on their own and to interpret their results and those of others critically. To achieve this, many examples have been chosen from various fields, such as biology, ecology, economics, medicine, agricultural, chemical, electrical, mechanical and process engineering, which are subsequently discussed in detail. Based on the author`s modeling and simulation experience in science and engineering and as a consultant, the book answers such basic questions as: What is a mathematical model? What types of models do exist? Which model is appropriate for a particular problem? What are simulation, parameter estimation, and validation? The book relies exclusively upon open-source software which is available to everybody free of charge. The entire book software – including 3D CFD and structural mechanics simulation software – can be used based on a free CAELinux-Live-DVD that is available in the Internet (works on most machines and operating systems).