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Presenting strategies in control policies, this text uses a systems theory approach to predict, simulate and streamline plant operation, conserve fuel and resources, and increase workplace safety in the manufacturing, chemical, petrochemical, petroleum, biochemical and energy industries. Topics of discussion include system theory and chemical/biochemical engineering systems, steady state, unsteady state, and thermodynamic equilibrium, modeling of systems, fundamental laws governing the processes in terms of the state variables, different classifications of physical models, the story of chemical engineering in relation to system theory and mathematical modeling, overall heat balance with single and multiple chemical reactions and single and multiple reactions.
In this textbook, the author teaches readers how to model and simulate a unit process operation through developing mathematical model equations, solving model equations manually, and comparing results with those simulated through software. It covers both lumped parameter systems and distributed parameter systems, as well as using MATLAB and Simulink to solve the system model equations for both. Simplified partial differential equations are solved using COMSOL, an effective tool to solve PDE, using the fine element method. This book includes end of chapter problems and worked examples, and summarizes reader goals at the beginning of each chapter.
Modeling Chemical Systems using Cellular Automata provides a practical introduction to an exciting modeling paradigm for complex systems. The book first discusses the nature of scientific inquiry using models and simulations, and then describes the nature of cellular automata models. It then gives detailed descriptions, with examples and exercises, of how cellular automata models can be used in the study of a wide variety chemical, physical, and biochemical phenomena. Topics covered include models of water itself, solution phenomena, solution interactions with stationary systems, first- and second-order kinetic phenomena, enzyme kinetics, vapor-liquid equilibrium, and atomic and molecular excited-state kinetics. The student experiences these systems through hands-on examples and guided studies. This book is the first of its kind: a textbook and a laboratory manual about cellular automata modeling of common systems in chemistry. The book is designed to be used as a text in undergraduate courses dealing with complex systems and/or as a computational supplement to laboratory courses taught at the undergraduate level. The book includes: - Compact descriptions of a large variety of physical and chemical phenomena - Illustrative examples of simulations, with exercises for further study - An instructor's manual for use of the program The book will be of great value in undergraduate courses in chemistry, physics, biology, applied mathematics, and bioinformatics, and as a supplement for laboratory courses in introductory chemistry, organic chemistry, physical chemistry, medicinal chemistry, chemical engineering and other courses dealing with statistical and dynamic systems. It allows the exploration of a wide range of dynamic phenomena, many of which are not normally accessible within conventional laboratory settings due to limitations of time, cost, and experimental equipment. The book is both a textbook on applied Cellular Automata and a lab manual for chemistry (physics, engineering) courses with lab activity. It would supplement other lab work and be an additonal book the students would use in the course. The authors have assessed the emerging need for this kind of activity in science labs because of the cost of the practical activitites and the frequent failure of some exercises leading to lost didactic value of some experiments. This book is pioneering an alternative that will grow in use. There are no course directors who would use Cellular Automata exclusively. The authors see an emerging interest in this kind of work in courses that contain lab exercises. One such course is the graduate course that Lemont Kier gives in Life Sciences about complexity. He uses many examples and studies from Cellular Automata in the latter part of this course.
Chemical mechanical planarization, or chemical mechanical polishing as it is simultaneously referred to, has emerged as one of the critical processes in semiconductor manufacturing and in the production of other related products and devices, MEMS for example. Since its introduction some 15+ years ago CMP, as it is commonly called, has moved steadily into new and challenging areas of semiconductor fabrication. Demands on it for consistent, efficient and cost-effective processing have been steady. This has continued in the face of steadily decreasing feature sizes, impressive increases in wafer size and a continuing array of new materials used in devices today. There are a number of excellent existing references and monographs on CMP in circulation and we defer to them for detailed background information. They are cited in the text. Our focus here is on the important area of process mod els which have not kept pace with the tremendous expansion of applications of CMP. Preston's equation is a valuable start but represents none of the subtleties of the process. Specifically, we refer to the development of models with sufficient detail to allow the evaluation and tradeoff of process inputs and parameters to assess impact on quality or quantity of production. We call that an "integrated model" and, more specifically, we include the important role of the mechanical elements of the process.
This book provides a rigorous treatment of the fundamental concepts and techniques involved in process modeling and simulation. The book allows the reader to: (i) Get a solid grasp of “under-the-hood” mathematical results (ii) Develop models of sophisticated processes (iii) Transform models to different geometries and domains as appropriate (iv) Utilize various model simplification techniques (v) Learn simple and effective computational methods for model simulation (vi) Intensify the effectiveness of their research Modeling and Simulation for Chemical Engineers: Theory and Practice begins with an introduction to the terminology of process modeling and simulation. Chapters 2 and 3 cover fundamental and constitutive relations, while Chapter 4 on model formulation builds on these relations. Chapters 5 and 6 introduce the advanced techniques of model transformation and simplification. Chapter 7 deals with model simulation, and the final chapter reviews important mathematical concepts. Presented in a methodical, systematic way, this book is suitable as a self-study guide or as a graduate reference, and includes examples, schematics and diagrams to enrich understanding. End of chapter problems with solutions and computer software available online at www.wiley.com/go/upreti/pms_for_chemical_engineers are designed to further stimulate readers to apply the newly learned concepts.
Mathematical modeling of atmospheric composition is a formidable scientific and computational challenge. This comprehensive presentation of the modeling methods used in atmospheric chemistry focuses on both theory and practice, from the fundamental principles behind models, through to their applications in interpreting observations. An encyclopaedic coverage of methods used in atmospheric modeling, including their advantages and disadvantages, makes this a one-stop resource with a large scope. Particular emphasis is given to the mathematical formulation of chemical, radiative, and aerosol processes; advection and turbulent transport; emission and deposition processes; as well as major chapters on model evaluation and inverse modeling. The modeling of atmospheric chemistry is an intrinsically interdisciplinary endeavour, bringing together meteorology, radiative transfer, physical chemistry and biogeochemistry, making the book of value to a broad readership. Introductory chapters and a review of the relevant mathematics make this book instantly accessible to graduate students and researchers in the atmospheric sciences.
The purpose of this book is to convey to undergraduate students an understanding of those areas of process control that all chemical engineers need to know. The presentation is concise, readable and restricted to only essential elements. The methods presented have been successfully applied in industry to solve real problems. Analysis of closedloop dynamics in the time, Laplace, frequency and sample-data domains are covered. Designing simple regulatory control systems for multivariable processes is discussed. The practical aspects of process control are presented sizing control valves, tuning controllers, developing control structures and considering interaction between plant design and control. Practical simple identification methods are covered.
This Second Edition of the go-to reference combines the classical analysis and modern applications of applied mathematics for chemical engineers. The book introduces traditional techniques for solving ordinary differential equations (ODEs), adding new material on approximate solution methods such as perturbation techniques and elementary numerical solutions. It also includes analytical methods to deal with important classes of finite-difference equations. The last half discusses numerical solution techniques and partial differential equations (PDEs). The reader will then be equipped to apply mathematics in the formulation of problems in chemical engineering. Like the first edition, there are many examples provided as homework and worked examples.
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.