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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.
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.
While various software packages have become quite useful for performing unit operations and other kinds of processes in chemical engineering, the fundamental theory and methods of calculation must also be understood in order to effectively test the validity of these packages and verify the results. Computer Methods in Chemical Engineering presents
Hydrodynamics, Mass and Heat Transfer in Chemical Engineering contains a concise and systematic exposition of fundamental problems of hydrodynamics, heat and mass transfer, and physicochemical hydrodynamics, which constitute the theoretical basis of chemical engineering in science. Areas covered include: fluid flows; processes of chemical engineeri
Advanced Data Analysis and Modeling in Chemical Engineering provides the mathematical foundations of different areas of chemical engineering and describes typical applications. The book presents the key areas of chemical engineering, their mathematical foundations, and corresponding modeling techniques. Modern industrial production is based on solid scientific methods, many of which are part of chemical engineering. To produce new substances or materials, engineers must devise special reactors and procedures, while also observing stringent safety requirements and striving to optimize the efficiency jointly in economic and ecological terms. In chemical engineering, mathematical methods are considered to be driving forces of many innovations in material design and process development.
Theoretical Aspects of Chemical Reactivity provides a broad overview of recent theoretical and computational advancements in the field of chemical reactivity. Contributions have been made by a number of leaders in the field covering theoretical developments to applications in molecular systems and clusters. With an increase in the use of reactivity descriptors, and fundamental theoretical aspects becoming more challenging, this volume serves as an interesting overview where traditional concepts are revisited and explored from new viewpoints, and new varieties of reactivity descriptors are proposed. Includes applications in the frontiers of reactivity principles, and introduces dynamic and statistical viewpoints to chemical reactivity and challenging traditional concepts such as aromaticity. * Written by specialists in the field of chemical reactivity* An authoritative overview of the research and progress * An essential reference material for students
The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).Features of this book:• Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD• Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers• Provides chemical reactions, interfaces, catalysis, surface phenomena and solidsAlthough the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
There are essentially two theories of solutions that can be considered exact: the McMillan-Mayer theory and Fluctuation Solution Theory (FST). The first is mostly limited to solutes at low concentrations, while FST has no such issue. It is an exact theory that can be applied to any stable solution regardless of the number of components and their co
This broad-based book covers the three major areas of Chemical Engineering. Most of the books in the market involve one of the individual areas, namely, Fluid Mechanics, Heat Transfer or Mass Transfer, rather than all the three. This book presents this material in a single source. This avoids the user having to refer to a number of books to obtain information. Most published books covering all the three areas in a single source emphasize theory rather than practical issues. This book is written with emphasis on practice with brief theoretical concepts in the form of questions and answers, not adopting stereo-typed question-answer approach practiced in certain books in the market, bridging the two areas of theory and practice with respect to the core areas of chemical engineering. Most parts of the book are easily understandable by those who are not experts in the field. Fluid Mechanics chapters include basics on non-Newtonian systems which, for instance find importance in polymer and food processing, flow through piping, flow measurement, pumps, mixing technology and fluidization and two phase flow. For example it covers types of pumps and valves, membranes and areas of their use, different equipment commonly used in chemical industry and their merits and drawbacks. Heat Transfer chapters cover the basics involved in conduction, convection and radiation, with emphasis on insulation, heat exchangers, evaporators, condensers, reboilers and fired heaters. Design methods, performance, operational issues and maintenance problems are highlighted. Topics such as heat pipes, heat pumps, heat tracing, steam traps, refrigeration, cooling of electronic devices, NOx control find place in the book. Mass transfer chapters cover basics such as diffusion, theories, analogies, mass transfer coefficients and mass transfer with chemical reaction, equipment such as tray and packed columns, column internals including structural packings, design, operational and installation issues, drums and separators are discussed in good detail. Absorption, distillation, extraction and leaching with applications and design methods, including emerging practices involving Divided Wall and Petluk column arrangements, multicomponent separations, supercritical solvent extraction find place in the book.
Master the principles of thermodynamics, and understand their practical real-world applications, with this deep and intuitive undergraduate textbook.