Chemical Thermodynamics for Process Simulation

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.

A completely updated, expanded edition of a longstanding and influential text on chemical thermodynamics Covers the logical foundations and interrelationships of thermodynamics and their application to problems that are commonly encountered by the chemist. Explanations of abstract concepts in a clear and simple, yet still rigorous fashion Logical arrangement of the material to facilitate learning, including worked out examples. Computational techniques, graphical, numerical, and analytical, are described fully and are used frequently, both in illustrative and in assigned problems.

A comprehensive and example oriented text for the study of chemical process design and simulation Chemical Process Design and Simulation is an accessible guide that offers information on the most important principles of chemical engineering design and includes illustrative examples of their application that uses simulation software. A comprehensive and practical resource, the text uses both Aspen Plus and Aspen Hysys simulation software. The author describes the basic methodologies for computer aided design and offers a description of the basic steps of process simulation in Aspen Plus and Aspen Hysys. The text reviews the design and simulation of individual simple unit operations that includes a mathematical model of each unit operation such as reactors, separators, and heat exchangers. The author also explores the design of new plants and simulation of existing plants where conventional chemicals and material mixtures with measurable compositions are used. In addition, to aid in comprehension, solutions to examples of real problems are included. The final section covers plant design and simulation of processes using nonconventional components. This important resource: Includes information on the application of both the Aspen Plus and Aspen Hysys software that enables a comparison of the two software systems Combines the basic theoretical principles of chemical process and design with real-world examples Covers both processes with conventional organic chemicals and processes with more complex materials such as solids, oil blends, polymers and electrolytes Presents examples that are solved using a new version of Aspen software, ASPEN One 9 Written for students and academics in the field of process design, Chemical Process Design and Simulation is a practical and accessible guide to the chemical process design and simulation using proven software.

Teaches basic and advanced modeling and simulation techniques to both undergraduate and postgraduate students and serves as a practical guide and manual for professionals learning how to build simulation models using WITNESS, a free-standing software package. This book discusses the theory behind simulation and demonstrates how to build simulation models with WITNESS. The book begins with an explanation of the concepts of simulation modeling and a “guided tour” of the WITNESS modeling environment. Next, the authors cover the basics of building simulation models using WITNESS and modeling of material-handling systems. After taking a brief tour in basic probability and statistics, simulation model input analysis is then examined in detail, including the importance and techniques of fitting closed-form distributions to observed data. Next, the authors present simulation output analysis including determining run controls and statistical analysis of simulation outputs and show how to use these techniques and others to undertake simulation model verification and validation. Effective techniques for managing a simulation project are analyzed, and case studies exemplifying the use of simulation in manufacturing and services are covered. Simulation-based optimization methods and the use of simulation to build and enhance lean systems are then discussed. Finally, the authors examine the interrelationships and synergy between simulation and Six Sigma. Emphasizes real-world applications of simulation modeling in both services and manufacturing sectors Discusses the role of simulation in Six Sigma projects and Lean Systems Contains examples in each chapter on the methods and concepts presented Process Simulation Using WITNESS is a resource for students, researchers, engineers, management consultants, and simulation trainers.

A comprehensive introduction, examining both macroscopic and microscopic aspects of the subject, the book applies the theory of thermodynamics to a broad range of materials; from metals, ceramics and other inorganic materials to geological materials. Focusing on materials rather than the underlying mathematical concepts of the subject, this book will be ideal for the non-specialist requiring an introduction to the energetics and stability of materials. Macroscopic thermodynamic properties are linked to the underlying miscroscopic nature of the materials and trends in important properties are discussed. A unique approach covering both macroscopic and microscopic aspects of the subject Authors have worldwide reputations in this area Fills a gap in the market by featuring a wide range of real up-to-date examples and covering a large amount of materials

This book describes recent progress in enzyme-driven green syntheses of industrially important molecules. The first three introductory chapters overview recent technological advances in enzymes and cell-based transformations, and green chemistry metrics for synthetic efficiency. The remaining chapters are directed to case studies in biotechnological production of pharmaceuticals (small molecules, natural products and biologics), flavors, fragrance and cosmetics, fine chemicals, value-added chemicals from glucose and biomass, and polymeric materials. The book is aimed to facilitate the industrial applications of this powerful and emerging green technology, and catalyze the advancement of the technology itself.

A ground-up approach to explaining dynamic spatial modelling for an interdisciplinary audience. Across broad areas of the environmental and social sciences, simulation models are an important way to study systems inaccessible to scientific experimental and observational methods, and also an essential complement to those more conventional approaches. The contemporary research literature is teeming with abstract simulation models whose presentation is mathematically demanding and requires a high level of knowledge of quantitative and computational methods and approaches. Furthermore, simulation models designed to represent specific systems and phenomena are often complicated, and, as a result, difficult to reconstruct from their descriptions in the literature. This book aims to provide a practical and accessible account of dynamic spatial modelling, while also equipping readers with a sound conceptual foundation in the subject, and a useful introduction to the wide-ranging literature. Spatial Simulation: Exploring Pattern and Process is organised around the idea that a small number of spatial processes underlie the wide variety of dynamic spatial models. Its central focus on three ‘building-blocks’ of dynamic spatial models – forces of attraction and segregation, individual mobile entities, and processes of spread – guides the reader to an understanding of the basis of many of the complicated models found in the research literature. The three building block models are presented in their simplest form and are progressively elaborated and related to real world process that can be represented using them. Introductory chapters cover essential background topics, particularly the relationships between pattern, process and spatiotemporal scale. Additional chapters consider how time and space can be represented in more complicated models, and methods for the analysis and evaluation of models. Finally, the three building block models are woven together in a more elaborate example to show how a complicated model can be assembled from relatively simple components. To aid understanding, more than 50 specific models described in the book are available online at patternandprocess.org for exploration in the freely available Netlogo platform. This book encourages readers to develop intuition for the abstract types of model that are likely to be appropriate for application in any specific context. Spatial Simulation: Exploring Pattern and Process will be of interest to undergraduate and graduate students taking courses in environmental, social, ecological and geographical disciplines. Researchers and professionals who require a non-specialist introduction will also find this book an invaluable guide to dynamic spatial simulation.

The successful implementation of greener chemical processes relies not only on the development of more efficient catalysts for synthetic chemistry but also, and as importantly, on the development of reactor and separation technologies which can deliver enhanced processing performance in a safe, cost-effective and energy efficient manner. Process intensification has emerged as a promising field which can effectively tackle the challenges of significant process enhancement, whilst also offering the potential to diminish the environmental impact presented by the chemical industry. Following an introduction to process intensification and the principles of green chemistry, this book presents a number of intensified technologies which have been researched and developed, including case studies to illustrate their application to green chemical processes. Topics covered include: • Intensified reactor technologies: spinning disc reactors, microreactors, monolith reactors, oscillatory flow reactors, cavitational reactors • Combined reactor/separator systems: membrane reactors, reactive distillation, reactive extraction, reactive absorption • Membrane separations for green chemistry • Industry relevance of process intensification, including economics and environmental impact, opportunities for energy saving, and practical considerations for industrial implementation. Process Intensification for Green Chemistry is a valuable resource for practising engineers and chemists alike who are interested in applying intensified reactor and/or separator systems in a range of industries to achieve green chemistry principles.

Drawn from international sources, this book provides principles and strategies for the evaluation of chemical reactions, and for using this information in process design and management. A useful resource for engineers who design, start-up, operate, and manage chemical and petrochemical plants, the book places special emphasis on the use of state-of-the-art technology in theory, testing methods, and applications in design and operations.