Simulation with Entropy Thermodynamics

Simulation with Entropy Thermodynamics
Author: Christophe Goupil
Publisher: MDPI
Total Pages: 222
Release: 2021-03-11
Genre: Science
ISBN: 3036501142
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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.

Simulation with Entropy in Engineering Thermodynamics

Simulation with Entropy in Engineering Thermodynamics
Author: Jean Thoma
Publisher: Springer Science & Business Media
Total Pages: 141
Release: 2007-04-27
Genre: Technology & Engineering
ISBN: 3540328513
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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.

Simulation with Entropy Thermodynamics

Simulation with Entropy Thermodynamics
Author: Christophe Goupil
Publisher:
Total Pages: 222
Release: 2021
Genre:
ISBN: 9783036501154
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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.

Entropy and Free Energy in Structural Biology

Entropy and Free Energy in Structural Biology
Author: Hagai Meirovitch
Publisher: CRC Press
Total Pages: 374
Release: 2020-08-14
Genre: Computers
ISBN: 1000072304
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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.

Engineering Thermodynamics: Simulation with Entropy

Engineering Thermodynamics: Simulation with Entropy
Author: Keenan Murphy
Publisher: Clanrye International
Total Pages: 0
Release: 2023-09-19
Genre: Science
ISBN: 9781647266790
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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.

Discover Entropy And The Second Law Of Thermodynamics: A Playful Way Of Discovering A Law Of Nature

Discover Entropy And The Second Law Of Thermodynamics: A Playful Way Of Discovering A Law Of Nature
Author: Arieh Ben-naim
Publisher: World Scientific
Total Pages: 287
Release: 2010-08-03
Genre: Science
ISBN: 9814465267
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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.

Select Thermodynamic Models for Process Simulation

Select Thermodynamic Models for Process Simulation
Author: Jean-Charles de Hemptinne
Publisher: Editions TECHNIP
Total Pages: 418
Release: 2012
Genre: Technology & Engineering
ISBN: 9782710809494
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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

Modelling and Simulation in Thermal and Chemical Engineering

Modelling and Simulation in Thermal and Chemical Engineering
Author: J. Thoma
Publisher: Springer Science & Business Media
Total Pages: 229
Release: 2013-03-09
Genre: Technology & Engineering
ISBN: 3662041812
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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.

Thermodynamics and Statistical Mechanics

Thermodynamics and Statistical Mechanics
Author: Phil Attard
Publisher: Academic Press
Total Pages: 444
Release: 2002-07-24
Genre: Science
ISBN: 9780120663217
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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.