Mathematical Modelling And Simulation In Chemical Engineering

An easy to understand guide covering key principles of mathematical modelling and simulation in chemical engineering.

A description of the use of computer aided modeling and simulation in the development, integration and optimization of industrial processes. The two authors elucidate the entire procedure step-by-step, from basic mathematical modeling to result interpretation and full-scale process performance analysis. They further demonstrate similitude comparisons of experimental results from different systems as a tool for broadening the applicability of the calculation methods. Throughout, the book adopts a very practical approach, addressing actual problems and projects likely to be encountered by the reader, as well as fundamentals and solution strategies for complex problems. It is thus equally useful for student and professional engineers and chemists involved in industrial process and production plant design, construction or upgrading.

This book presents a theoretical analysis of the modern methods used for modeling various chemical engineering processes. Currently, the two primary problems in the chemical industry are the optimal design of new devices and the optimal control of active processes. Both of these problems are often solved by developing new methods of modeling. These methods for modeling specific processes may be different, but in all cases, they bring the mathematical description closer to the real processes by using appropriate experimental data. In this book, the authors detail a new approach for the modeling of chemical processes in column apparatuses. Further, they describe the types of neural networks that have been shown to be effective in solving important chemical engineering problems. Readers are also presented with mathematical models of integrated bioethanol supply chains (IBSC) that achieve improved economic and environmental sustainability. The integration of energy and mass processes is one of the most powerful tools for creating sustainable and energy efficient production systems. This book defines the main approaches for the thermal integration of periodic processes, direct and indirect, and the recent integration of small-scale solar thermal dryers with phase change materials as energy accumulators. An exciting overview of new approaches for the modeling of chemical engineering processes, this book serves as a guide for the important innovations being made in theoretical chemical engineering.

This book treats modeling and simulation in a simple way, that builds on the existing knowledge and intuition of students. They will learn how to build a model and solve it using Excel. Most chemical engineering students feel a shiver down the spine when they see a set of complex mathematical equations generated from the modeling of a chemical engineering system. This is because they usually do not understand how to achieve this mathematical model, or they do not know how to solve the equations system without spending a lot of time and effort. Trying to understand how to generate a set of mathematical equations to represent a physical system (to model) and solve these equations (to simulate) is not a simple task. A model, most of the time, takes into account all phenomena studied during a Chemical Engineering course. In the same way, there is a multitude of numerical methods that can be used to solve the same set of equations generated from the modeling, and many different computational languages can be adopted to implement the numerical methods. As a consequence of this comprehensiveness and combinatorial explosion of possibilities, most books that deal with this subject are very extensive and embracing, making need for a lot of time and effort to go through this subject. It is expected that with this book the chemical engineering student and the future chemical engineer feel motivated to solve different practical problems involving chemical processes, knowing they can do that in an easy and fast way, with no need of expensive software.

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.

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).

The role of theory in science was formulated very brilliantly by Max Planck: Experimenters are the striking force of science. The experiment is a question which science puts to nature. The measurement is the registration of nature’s answer. But before the question is put to nature,it must be formulated. Before the measurement result is used,itmust be explained, i.e., the answer must be understood correctly. These two problems are obligations of the theoreticians. Chemical engineering is an experimental science, but theory permits us to formulate correct experimental conditions and to understand correctly the exp- imental results. The theoretical methods of chemical engineering for modeling and simulation of industrial processes are surveyed in this book. Theoretical chemical engineering solves the problems that spring up from the necessity for a quantitative description of the processes in the chemical industry. They are quite different at the different stages of the quantitative description, i.e., a wide circle of theoretical methods are required for their solutions. Modeling and simulation are a united approach to obtain a quantitative description of the processes and systems in chemical engineering and chemical technology, which is necessary to clarify the process mechanism or for optimal process design, process control, and plant renovation. Modeling is the creation of the mathematical model, i.e., construction of the mathematical description (on the basis of the process mechanism), calculation of the model parameters (using experimental data), and statistical analysis of the model adequacy.

A solid introduction, enabling the reader to successfully formulate, construct, simplify, evaluate and use mathematical models in chemical engineering.