Thermodynamics and information touch theory every facet of chemistry. However, the physical chemistry curriculum digested by students worldwide is still heavily skewed toward heat/work principles established more than a century ago. Rectifying this situation, Chemical Thermodynamics and Information Theory with Applications explores applications dra
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.
This book explores the remarkable information correspondences and probability structures of proteins. Correspondences are pervasive in biochemistry and bioinformatics: proteins share homologies, folding patterns, and mechanisms. Probability structures are just as paramount: folded state graphics reflect Angstrom-scale maps of electron density. The author explores protein sequences (primary structures), both individually and in sets (systems) with the help of probability and information tools. This perspective will enhance the reader’s knowledge of how an important class of molecules is designed and put to task in natural systems, and how we can approach class members in hands-on ways.
As well as providing a unified outlook on physics, Information Theory (IT) has numerous applications in chemistry and biology owing to its ability to provide a measure of the entropy/information contained within probability distributions and criteria of their information "distance" (similarity) and independence. Information Theory of Molecular Systems applies standard IT to classical problems in the theory of electronic structure and chemical reactivity. The book starts by introducing the basic concepts of modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT), followed by an outline of the main ideas and techniques of IT, including several illustrative applications to molecular systems. Coverage includes information origins of the chemical bond, unbiased definition of molecular fragments, adequate entropic measures of their internal (intra-fragment) and external (inter-fragment) bond-orders and valence-numbers, descriptors of their chemical reactivity, and information criteria of their similarity and independence. Information Theory of Molecular Systems is recommended to graduate students and researchers interested in fresh ideas in the theory of electronic structure and chemical reactivity.·Provides powerful tools for tackling both classical and new problems in the theory of the molecular electronic structure and chemical reactivity·Introduces basic concepts of the modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT)·Outlines main ideas and techniques of Information Theory
This book provides a concise overview of thermodynamics, and is written in a manner which makes the difficult subject matter understandable. Thermodynamics is systematic in its presentation and covers many subjects that are generally not dealt with in competing books such as: Carathéodory's approach to the Second Law, the general theory of phase transitions, the origin of phase diagrams, the treatment of matter subjected to a variety of external fields, and the subject of irreversible thermodynamics.The book provides a first-principles, postulational, self-contained description of physical and chemical processes. Designed both as a textbook and as a monograph, the book stresses the fundamental principles, the logical development of the subject matter, and the applications in a variety of disciplines. This revised edition is based on teaching experience in the classroom, and incorporates many exercises in varying degrees of sophistication. The stress laid on a didactic, logical presentation, and on the relation between theory and experiment should provide a reader with a more intuitive understanding of the basic principles.Graduate students and professional chemists in physical chemistry and inorganic chemistry, as well as graduate students and professionals in physics who wish to acquire a more sophisticated overview of thermodynamics and related subject matter will find this book extremely helpful. - Takes the reader through various steps to understanding - Review of fundamentals - Development of subject matter - Applications in a variety of disciplines
"Highlights in Mineralogical Crystallography" presents a collection of review articles with the common topic: structural properties of minerals and synthetic analogues. It is a valuable resource for mineralogists, materials scientists, crystallographers, and earth scientists. This book includes: An introduction to the RRUFF database for structural, spectroscopic, and chemical mineral identification. A systematic evaluation of structural complexity of minerals. ab initio computer modelling of mineral surfaces. Natural quasicrystals of meteoritic origin. The potential role of terrestrial ringwoodite on the water content of the Earth's mantle. Structural characterization of nanocrystalline bio-related minerals by electron-diffraction tomography. The uniqueness of mayenite-type compounds as minerals and high-tech ceramics.
Entropy for Biologists: An Introduction to Thermodynamics is an introductory book for people in the life sciences who wish to master the concepts of thermal physics without being forced to a degree and rate of symbol manipulation which is foreign to their patterns of thought. The book opens with a chapter on temperature, followed by separate chapters that discuss the concepts of energy, kinetic theory, total energy, the second law of thermodynamics, entropy, and probability and information theory. Subsequent chapters deal with statistical mechanics and its relation to thermodynamics, free-energy functions, applications of the Gibbs free energy and the Gibbs chemical potential, and measurement in thermal physics. The book is primarily directed at those graduate and advanced undergraduate students of biology and biochemistry who wish to develop a sense of confidence about their understanding of the thermal physics which will be useful in pursuing their work. It may also prove useful to professionals who wish to bolster their knowledge in this area.
Thermodynamic Approaches in Engineering Systems responds to the need for a synthesizing volume that throws light upon the extensive field of thermodynamics from a chemical engineering perspective that applies basic ideas and key results from the field to chemical engineering problems. This book outlines and interprets the most valuable achievements in applied non-equilibrium thermodynamics obtained within the recent fifty years. It synthesizes nontrivial achievements of thermodynamics in important branches of chemical and biochemical engineering. Readers will gain an update on what has been achieved, what new research problems could be stated, and what kind of further studies should be developed within specialized research. - Presents clearly structured chapters beginning with an introduction, elaboration of the process, and results summarized in a conclusion - Written by a first-class expert in the field of advanced methods in thermodynamics - Provides a synthesis of recent thermodynamic developments in practical systems - Presents very elaborate literature discussions from the past fifty years
This is a sequel to the author's book entitled “Entropy Demystified” (Published by World Scientific, 2007). The aim is essentially the same as that of the previous book by the author: to present Entropy and the Second Law as simple, meaningful and comprehensible concepts. In addition, this book presents a series of “experiments” which are designed to help the reader discover entropy and the Second Law. While doing the experiments, the reader will encounter three most fundamental probability distributions featuring in Physics: the Uniform, the Boltzmann and the Maxwell-Boltzmann distributions. In addition, the concepts of entropy and the Second Law will emerge naturally from these experiments without a tinge of mystery. These concepts are explained with the help of a few familiar ideas of probability and information theory.The main “value” of the book is to introduce entropy and the Second Law in simple language which renders it accessible to any reader who can read and is curious about the basic laws of nature. The book is addressed to anyone interested in science and in understanding natural phenomenon. It will afford the reader the opportunity to discover one of the most fundamental laws of physics — a law that has resisted complete understanding for over a century. The book is also designed to be enjoyable.There is no other book of its kind (except “Entropy Demystified” by the same author) that offers the reader a unique opportunity to discover one of the most profound laws — sometimes viewed as a mysterious — while comfortably playing with familiar games. There are no pre-requisites expected from the readers; all that the reader is expected to do is to follow the experiments or imagine doing the experiments and reach the inevitable conclusions.
