Chemical Thermodynamics


Book Description

This book develops the theory of chemical thermodynamics from first principles, demonstrates its relevance across scientific and engineering disciplines, and shows how thermodynamics can be used as a practical tool for understanding natural phenomena and developing and improving technologies and products. Concepts such as internal energy, enthalpy, entropy, and Gibbs energy are explained using ideas and experiences familiar to students, and realistic examples are given so the usefulness and pervasiveness of thermodynamics becomes apparent. The worked examples illustrate key ideas and demonstrate important types of calculations, and the problems at the end of chapters are designed to reinforce important concepts and show the broad range of applications. Most can be solved using digitized data from open access databases and a spreadsheet. Answers are provided for the numerical problems. A particular theme of the book is the calculation of the equilibrium composition of systems, both reactive and non-reactive, and this includes the principles of Gibbs energy minimization. The overall approach leads to the intelligent use of thermodynamic software packages but, while these are discussed and their use demonstrated, they are not the focus of the book, the aim being to provide the necessary foundations. Another unique aspect is the inclusion of three applications chapters: heat and energy aspects of processing; the thermodynamics of metal production and recycling; and applications of electrochemistry. This book is aimed primarily at students of chemistry, chemical engineering, applied science, materials science, and metallurgy, though it will be also useful for students undertaking courses in geology and environmental science. A solutions manual is available for instructors.




Kinetics of Materials


Book Description

A classroom-tested textbook providing a fundamental understandingof basic kinetic processes in materials This textbook, reflecting the hands-on teaching experience of itsthree authors, evolved from Massachusetts Institute of Technology'sfirst-year graduate curriculum in the Department of MaterialsScience and Engineering. It discusses key topics collectivelyrepresenting the basic kinetic processes that cause changes in thesize, shape, composition, and atomistic structure of materials.Readers gain a deeper understanding of these kinetic processes andof the properties and applications of materials. Topics are introduced in a logical order, enabling students todevelop a solid foundation before advancing to more sophisticatedtopics. Kinetics of Materials begins with diffusion, offering adescription of the elementary manner in which atoms and moleculesmove around in solids and liquids. Next, the more complex motion ofdislocations and interfaces is addressed. Finally, still morecomplex kinetic phenomena, such as morphological evolution andphase transformations, are treated. Throughout the textbook, readers are instilled with an appreciationof the subject's analytic foundations and, in many cases, theapproximations commonly used in the field. The authors offer manyextensive derivations of important results to help illuminate theirorigins. While the principal focus is on kinetic phenomena incrystalline materials, select phenomena in noncrystalline materialsare also discussed. In many cases, the principles involved apply toall materials. Exercises with accompanying solutions are provided throughoutKinetics of Materials, enabling readers to put their newfoundknowledge into practice. In addition, bibliographies are offeredwith each chapter, helping readers to investigate specializedtopics in greater detail. Several appendices presenting importantbackground material are also included. With its unique range of topics, progressive structure, andextensive exercises, this classroom-tested textbook provides anenriching learning experience for first-year graduate students.




Reaction Kinetics


Book Description

This book covers all basic topics of reaction kinetics, thus students do not need to refer to other resources to prepare for an undergraduate exam. It leads the reader into the topic starting from molecular level concepts and working towards the more macroscopic descriptions of kinetics, introducing the subject according to the state-of-the-art 21st century chemistry. A thorough treatment of formal kinetics of both elementary and complex reactions is based on actual practice, omitting many obsolete treatments of the subject. Mathematical operations are explained in enough detail so that even students that are less trained in calculus can easily follow and understand. Data treatment and statistical inference include modern - mostly numerical - methods widely used in applications. Experimental methods are described using basic technical details, however as techniques quickly change sophisticated devices are not the focus of this book. The emphasis lies on providing the basic concepts which are important for students to understand. This book is suitable as essential reading for courses in bachelor and master chemistry programs and is also valuable as a reference or textbook for students of physics, biochemistry and environmental science.




Chemical Thermodynamics


Book Description

This course-derived undergraduate textbook provides a concise explanation of the key concepts and calculations of chemical thermodynamics. Instead of the usual ‘classical’ introduction, this text adopts a straightforward postulatory approach that introduces thermodynamic potentials such as entropy and energy more directly and transparently. Structured around several features to assist students’ understanding, Chemical Thermodynamics : Develops applications and methods for the ready treatment of equilibria on a sound quantitative basis. Requires minimal background in calculus to understand the text and presents formal derivations to the student in a detailed but understandable way. Offers end-of-chapter problems (and answers) for self-testing and review and reinforcement, of use for self- or group study. This book is suitable as essential reading for courses in a bachelor and master chemistry program and is also valuable as a reference or textbook for students of physics, biochemistry and materials science.




A TEXTBOOK OF CHEMICAL ENGINEERING THERMODYNAMICS


Book Description

Designed as an undergraduate-level textbook in Chemical Engineering, this student-friendly, thoroughly class-room tested book, now in its second edition, continues to provide an in-depth analysis of chemical engineering thermodynamics. The book has been so organized that it gives comprehensive coverage of basic concepts and applications of the laws of thermodynamics in the initial chapters, while the later chapters focus at length on important areas of study falling under the realm of chemical thermodynamics. The reader is thus introduced to a thorough analysis of the fundamental laws of thermodynamics as well as their applications to practical situations. This is followed by a detailed discussion on relationships among thermodynamic properties and an exhaustive treatment on the thermodynamic properties of solutions. The role of phase equilibrium thermodynamics in design, analysis, and operation of chemical separation methods is also deftly dealt with. Finally, the chemical reaction equilibria are skillfully explained. Besides numerous illustrations, the book contains over 200 worked examples, over 400 exercise problems (all with answers) and several objective-type questions, which enable students to gain an in-depth understanding of the concepts and theory discussed. The book will also be a useful text for students pursuing courses in chemical engineering-related branches such as polymer engineering, petroleum engineering, and safety and environmental engineering. New to This Edition • More Example Problems and Exercise Questions in each chapter • Updated section on Vapour–Liquid Equilibrium in Chapter 8 to highlight the significance of equations of state approach • GATE Questions up to 2012 with answers




Thermodynamics


Book Description




Computational Thermodynamics of Materials


Book Description

Integrates fundamental concepts with experimental data and practical applications, including worked examples and end-of-chapter problems.




Molecular Physical Chemistry


Book Description

This is the physical chemistry textbook for students with an affinity for computers! It offers basic and advanced knowledge for students in the second year of chemistry masters studies and beyond. In seven chapters, the book presents thermodynamics, chemical kinetics, quantum mechanics and molecular structure (including an introduction to quantum chemical calculations), molecular symmetry and crystals. The application of physical-chemical knowledge and problem solving is demonstrated in a chapter on water, treating both the water molecule as well as water in condensed phases. Instead of a traditional textbook top-down approach, this book presents the subjects on the basis of examples, exploring and running computer programs (Mathematica®), discussing the results of molecular orbital calculations (performed using Gaussian) on small molecules and turning to suitable reference works to obtain thermodynamic data. Selected Mathematica® codes are explained at the end of each chapter and cross-referenced with the text, enabling students to plot functions, solve equations, fit data, normalize probability functions, manipulate matrices and test physical models. In addition, the book presents clear and step-by-step explanations and provides detailed and complete answers to all exercises. In this way, it creates an active learning environment that can prepare students for pursuing their own research projects further down the road. Students who are not yet familiar with Mathematica® or Gaussian will find a valuable introduction to computer-based problem solving in the molecular sciences. Other computer applications can alternatively be used. For every chapter learning goals are clearly listed in the beginning, so that readers can easily spot the highlights, and a glossary in the end of the chapter offers a quick look-up of important terms.




Using Aspen Plus in Thermodynamics Instruction


Book Description

A step-by-step guide for students (and faculty) on the use of Aspen in teaching thermodynamics • Easily-accessible modern computational techniques opening up new vistas in teaching thermodynamics A range of applications of Aspen Plus in the prediction and calculation of thermodynamic properties and phase behavior using the state-of-the art methods • Encourages students to develop engineering insight by doing repetitive calculations with changes in parameters and/or models • Calculations and application examples in a step-by-step manner designed for out-of-classroom self-study • Makes it possible to easily integrate Aspen Plus into thermodynamics courses without using in-class time • Stresses the application of thermodynamics to real problems




Lectures on Kinetic Processes in Materials


Book Description

This book provides beginning graduate or senior-level undergraduate students in materials disciplines with a primer of the fundamental and quantitative ideas on kinetic processes in solid materials. Kinetics is concerned with the rate of change of the state of existence of a material system under thermodynamic driving forces. Kinetic processes in materials typically involve chemical reactions and solid state diffusion in parallel or in tandem. Thus, mathematics of diffusion in continuum is first dealt with in some depth, followed by the atomic theory of diffusion and a brief review of chemical reaction kinetics. Chemical diffusion in metals and ionic solids, diffusion-controlled kinetics of phase transformations, and kinetics of gas-solid reactions are examined. Through this course of learning, a student will become able to predict quantitatively how fast a kinetic process takes place, to understand the inner workings of the process, and to design the optimal process of material state change. Provides students with the tools to predict quantitatively how fast a kinetic process takes place and solve other diffusion related problems; Learns fundamental and quantitative ideas on kinetic processes in solid materials; Examines chemical diffusion in metals and ionic solids, diffusion-controlled kinetics of phase transformations, and kinetics of gas-solid reactions, among others; Contains end-of chapter exercise problems to help reinforce students' grasp of the concepts presented within each chapter.