Download or read book Simulation with Entropy Thermodynamics written by Christophe Goupil and published by MDPI. This book was released on 2021-03-11 with total page 222 pages. Available in PDF, EPUB and Kindle. Book excerpt: Beyond its identification with the second law of thermodynamics, entropy is a formidable tool for describing systems in their relationship with their environment. This book proposes to go through some of these situations where the formulation of entropy, and more precisely, the production of entropy in out-of-equilibrium processes, makes it possible to forge an approach to the behavior of very different systems. Whether for dimensioning structures; influencing parameter variability; or optimizing power, efficiency, or waste heat reduction, simulations based on entropy production offer a tool that is both compact and reliable. In the case of systems marked by complexity, it appears to be the only way. In that sense, realistic optimization can be carried out, integrating within the same framework both the system and all the constraints and boundary conditions that define it. Simulations based on entropy give the researcher a powerful analytical framework that crosses the disciplines of physics and links them together.

Download or read book Simulation with Entropy in Engineering Thermodynamics written by Jean Thoma and published by Springer Science & Business Media. This book was released on 2007-04-27 with total page 141 pages. Available in PDF, EPUB and Kindle. Book excerpt: Students, academics and researchers will find this book an invaluable contribution to the understanding of thermodynamics. In this new treatment of the subject, the authors focus on the principles of thermodynamic variables and the practical simulation of thermodynamic systems, and endeavor to show how simple thermodynamics really is. It offers a unique view of modern complex systems engineering and its ramifications.

Download or read book Simulation with Entropy Thermodynamics written by Christophe Goupil and published by . This book was released on 2021 with total page 222 pages. Available in PDF, EPUB and Kindle. Book excerpt: Beyond its identification with the second law of thermodynamics, entropy is a formidable tool for describing systems in their relationship with their environment. This book proposes to go through some of these situations where the formulation of entropy, and more precisely, the production of entropy in out-of-equilibrium processes, makes it possible to forge an approach to the behavior of very different systems. Whether for dimensioning structures; influencing parameter variability; or optimizing power, efficiency, or waste heat reduction, simulations based on entropy production offer a tool that is both compact and reliable. In the case of systems marked by complexity, it appears to be the only way. In that sense, realistic optimization can be carried out, integrating within the same framework both the system and all the constraints and boundary conditions that define it. Simulations based on entropy give the researcher a powerful analytical framework that crosses the disciplines of physics and links them together.

Download or read book Entropy and Free Energy in Structural Biology written by Hagai Meirovitch and published by CRC Press. This book was released on 2020-08-14 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer simulation has become the main engine of development in statistical mechanics. In structural biology, computer simulation constitutes the main theoretical tool for structure determination of proteins and for calculation of the free energy of binding, which are important in drug design. Entropy and Free Energy in Structural Biology leads the reader to the simulation technology in a systematic way. The book, which is structured as a course, consists of four parts: Part I is a short course on probability theory emphasizing (1) the distinction between the notions of experimental probability, probability space, and the experimental probability on a computer, and (2) elaborating on the mathematical structure of product spaces. These concepts are essential for solving probability problems and devising simulation methods, in particular for calculating the entropy. Part II starts with a short review of classical thermodynamics from which a non-traditional derivation of statistical mechanics is devised. Theoretical aspects of statistical mechanics are reviewed extensively. Part III covers several topics in non-equilibrium thermodynamics and statistical mechanics close to equilibrium, such as Onsager relations, the two Fick's laws, and the Langevin and master equations. The Monte Carlo and molecular dynamics procedures are discussed as well. Part IV presents advanced simulation methods for polymers and protein systems, including techniques for conformational search and for calculating the potential of mean force and the chemical potential. Thermodynamic integration, methods for calculating the absolute entropy, and methodologies for calculating the absolute free energy of binding are evaluated. Enhanced by a number of solved problems and examples, this volume will be a valuable resource to advanced undergraduate and graduate students in chemistry, chemical engineering, biochemistry biophysics, pharmacology, and computational biology.

Download or read book Engineering Thermodynamics Simulation with Entropy written by Keenan Murphy and published by Clanrye International. This book was released on 2023-09-19 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thermodynamics is a branch of physics that deals with matter and conversion of energy. Engineering thermodynamics is a subject of mechanical engineering that involves applying the principles of thermodynamics to engineering design of processes, devices, and systems, which involve effective utilization of energy and matter. Conversion between heat and work is fundamental in engineering thermodynamics. Entropy refers to a measurable physical characteristic and a scientific concept that is connected to a state of uncertainty, unpredictability or disorder. It is utilized in a variety of fields, including the principles of information theory, classical thermodynamics, and the microscopic description of nature in statistical physics. Entropy is central to the second law of thermodynamics, which asserts that the entropy of isolated systems left to unstructured expansion cannot decrease over time. This is due to the isolated systems always reaching thermodynamic equilibrium with the highest entropy. Different scenarios involving entropy production such as optimizing power and waste heat reduction can be studied by taking the help of simulation tools. This book aims to shed light on some of the unexplored aspects of engineering thermodynamics and the latest researches on simulation with entropy. It will serve as a valuable source of reference for graduate and postgraduate students.

Download or read book Select Thermodynamic Models for Process Simulation written by Jean-Charles de Hemptinne and published by Editions TECHNIP. This book was released on 2012 with total page 418 pages. Available in PDF, EPUB and Kindle. Book excerpt: The selection of the most adequate thermodynamic model in a process simulation is an issue that most process engineer has to face sooner or later. This book, conceived as a practical guide, aims at providing adequate answers by analysing the questions to be looked at. The analysis (first chapter) yields three keys that are further discussed in three different chapters. (1) A good understanding of the properties required in the process, and their method of calculation is the first key. The second chapter provides to that end in a synthetic manner the most important equations that are derived from the fundamental principes of thermodynamics. (2) An adequate description of the mixture, which is a combination of models and parameters, is the second key. The third chapter makes the link between components and models, both from a numerical (parameterisation) and physical (molecular interactions) point of view. Finally, (3) a correct view of the phase behaviour and trends in regard of the process conditions is the third key. The fourth chapter illustrates the phase behaviour and makes model recommendations for the most significant industrial systems. A decision tree is provided at the end of this chapter. In the last chapter, the key questions are reviewed for a number of typical processes. This book is intended for process engineers, who are not specialists of thermodynamics but are confronted with this kind of problems and need a reference book, as well as process engineering students who will find an original approach to thermodynamics, complementary of traditional lectures

Download or read book Chemical Thermodynamics for Process Simulation written by Jürgen Gmehling and published by John Wiley & Sons. This book was released on 2019-06-10 with total page 819 pages. Available in PDF, EPUB and Kindle. Book excerpt: The only textbook that applies thermodynamics to real-world process engineering problems This must-read for advanced students and professionals alike is the first book to demonstrate how chemical thermodynamics work in the real world by applying them to actual engineering examples. It also discusses the advantages and disadvantages of the particular models and procedures, and explains the most important models that are applied in process industry. All the topics are illustrated with examples that are closely related to practical process simulation problems. At the end of each chapter, additional calculation examples are given to enable readers to extend their comprehension. Chemical Thermodynamics for Process Simulation instructs on the behavior of fluids for pure fluids, describing the main types of equations of state and their abilities. It discusses the various quantities of interest in process simulation, their correlation, and prediction in detail. Chapters look at the important terms for the description of the thermodynamics of mixtures; the most important models and routes for phase equilibrium calculation; models which are applicable to a wide variety of non-electrolyte systems; membrane processes; polymer thermodynamics; enthalpy of reaction; chemical equilibria, and more. -Explains thermodynamic fundamentals used in process simulation with solved examples -Includes new chapters about modern measurement techniques, retrograde condensation, and simultaneous description of chemical equilibrium -Comprises numerous solved examples, which simplify the understanding of the often complex calculation procedures, and discusses advantages and disadvantages of models and procedures -Includes estimation methods for thermophysical properties and phase equilibria thermodynamics of alternative separation processes -Supplemented with MathCAD-sheets and DDBST programs for readers to reproduce the examples Chemical Thermodynamics for Process Simulation is an ideal resource for those working in the fields of process development, process synthesis, or process optimization, and an excellent book for students in the engineering sciences.

Download or read book Modelling and Simulation in Thermal and Chemical Engineering written by J. Thoma and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 229 pages. Available in PDF, EPUB and Kindle. Book excerpt: The main object of this advanced textbook is modelling and simulation of energetic processes by bond graphs. But even without knowledge of this powerful method, it can be used to a certain extent as an introduction to simulation in thermodynamics.

Download or read book Calculation of Entropy dependent Thermodynamic Properties of Fluids at High Pressure with Computer Simulation written by Simin Yazdi Nezhad and published by . This book was released on 2016 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Thermodynamics and Statistical Mechanics written by Phil Attard and published by Academic Press. This book was released on 2002-07-24 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: Isolated systems and thermal equilibrium -- Various reservoirs -- Probability and the general formalism -- Classical statistical mechanics -- Ideal systems -- Interacting particles -- Diagrammatic and functional expansions -- Pair functions -- Functional and perturbation theory -- Inhomogeneous systems -- Coulomb systems -- Computer simulations.

Download or read book Discover Entropy And The Second Law Of Thermodynamics A Playful Way Of Discovering A Law Of Nature written by Arieh Ben-naim and published by World Scientific. This book was released on 2010-08-03 with total page 287 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book An Introduction to Thermodynamic Cycle Simulations for Internal Combustion Engines written by Jerald A. Caton and published by John Wiley & Sons. This book was released on 2015-12-14 with total page 381 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an introduction to basic thermodynamic engine cycle simulations, and provides a substantial set of results. Key features includes comprehensive and detailed documentation of the mathematical foundations and solutions required for thermodynamic engine cycle simulations. The book includes a thorough presentation of results based on the second law of thermodynamics as well as results for advanced, high efficiency engines. Case studies that illustrate the use of engine cycle simulations are also provided.

Download or read book Time Reversibility Computer Simulation Algorithms Chaos written by William Graham Hoover and published by World Scientific. This book was released on 2012 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book begins with a discussion, contrasting the idealized reversibility of basic physics against the pragmatic irreversibility of real life. Computer models, and simulation, are next discussed and illustrated. Simulations provide the means to assimilate concepts through worked-out examples. State-of-the-art analyses, from the point of view of dynamical systems, are applied to many-body examples from nonequilibrium molecular dynamics and to chaotic irreversible flows from finite-difference, finite-element, and particle-based continuum simulations. Two necessary concepts from dynamical-systems theory - fractals and Lyapunov instability - are fundamental to the approach. Undergraduate-level physics, calculus, and ordinary differential equations are sufficient background for a full appreciation of this book, which is intended for advanced undergraduates, graduates, and research workers.

Download or read book Entropy Demystified written by Arieh Ben-Naim and published by World Scientific. This book was released on 2008 with total page 254 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this unique book, the reader is invited to experience the joy of appreciating something which has eluded understanding for many years OCo entropy and the Second Law of Thermodynamics. The book has a two-pronged message: first, that the second law is not infinitely incomprehensible as commonly stated in most textbooks on thermodynamics, but can, in fact, be comprehended through sheer common sense; and second, that entropy is not a mysterious quantity that has resisted understanding but a simple, familiar and easily comprehensible concept.Written in an accessible style, the book guides the reader through an abundance of dice games and examples from everyday life. The author paves the way for readers to discover for themselves what entropy is, how it changes, and, most importantly, why it always changes in one direction in a spontaneous process.In this new edition, seven simulated games are included so that the reader can actually experiment with the games described in the book. These simulated games are meant to enhance the readers'' understanding and sense of joy upon discovering the Second Law of Thermodynamics."

Download or read book Entropy and Entropy Generation written by J.S. Shiner and published by Springer Science & Business Media. This book was released on 2005-11-30 with total page 253 pages. Available in PDF, EPUB and Kindle. Book excerpt: Entropy and entropy generation play essential roles in our understanding of many diverse phenomena ranging from cosmology to biology. Their importance is manifest in areas of immediate practical interest such as the provision of global energy as well as in others of a more fundamental flavour such as the source of order and complexity in nature. They also form the basis of most modern formulations of both equilibrium and nonequilibrium thermodynamics. Today much progress is being made in our understanding of entropy and entropy generation in both fundamental aspects and application to concrete problems. The purpose of this volume is to present some of these recent and important results in a manner that not only appeals to the entropy specialist but also makes them accessible to the nonspecialist looking for an overview of the field. This book contains fourteen contributions by leading scientists in their fields. The content covers such topics as quantum thermodynamics, nonlinear processes, gravitational and irreversible thermodynamics, the thermodynamics of Taylor dispersion, higher order transport, the mesoscopic theory of liquid crystals, simulated annealing, information and biological aspects, global energy, photovoltaics, heat and mass transport and nonlinear electrochemical systems. Audience: This work will be of value to physicists, chemists, biologists and engineers interested in the theory and applications of entropy and its generation.

Download or read book Entropy Enthalpy Compensation written by Evgeni Starikov and published by CRC Press. This book was released on 2020-12-29 with total page 419 pages. Available in PDF, EPUB and Kindle. Book excerpt: Professionals recognize entropy-enthalpy compensation as an important factor in molecular recognition, lead design, water networks, and protein engineering. It can be experimentally studied by proper combinations of diverse spectroscopic approaches with isothermal titration calorimetry and is clearly related to molecular dynamics. So, how should we treat entropy-enthalpy compensation? Is it a stubborn hindrance that solely complicates the predictability of phenomena otherwise laid on the line by Mother Nature? How should we then deal with it? This book dwells on these posers. It combines two chapters written by globally recognized specialists. Chapter 1 deals with general issues and suggests a definite approach to how we may answer the posers. Chapter 2 shows how the approach outlined might be successfully applied in a rational design of enzymes. This might provide other interesting strategic perspectives in the general theoretical physical chemistry field.

Download or read book Advances in the Modelling of Thermodynamic Systems written by Essefi, Elhoucine and published by IGI Global. This book was released on 2022-03-25 with total page 309 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thermodynamics is a common field of study involving many different specialties including physics, chemistry, geology, and cosmology. Thermodynamics is incredibly useful for manmade industrial processes related to material studies, renewable energy, and more. It is essential for professionals to stay current with the developments in thermodynamic systems, as thermodynamics proves vital for understanding natural macroprocesses related to geology, areology, and cosmology. Advances in the Modelling of Thermodynamic Systems discusses the recent advances in modeling of thermodynamic systems as well as the state-of-the-art manmade industrial processes and natural processes taking place on Earth and beyond. It reveals an interdisciplinary vision of thermodynamics from the minuscule to the immense. Covering topics such as entropy generation, linear modeling, and statistical analysis, this premier reference source is an essential resource for engineers, chemists, physicists, mechanics, geologists, cosmologists, students and educators of higher education, libraries, researchers, and academicians.