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Simulation with Entropy in Engineering Thermodynamics

Author: Jean Thoma

Publisher: Springer Science & Business Media

Published: 2007-04-27

Total Pages: 141

ISBN-13: 3540328513

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

Author: Christophe Goupil

Publisher: MDPI

Published: 2021-03-11

Total Pages: 222

ISBN-13: 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 Thermodynamics

Author: Christophe Goupil

Publisher:

Published: 2021

Total Pages: 222

ISBN-13: 9783036501154

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Entropy and Free Energy in Structural Biology

Author: Hagai Meirovitch

Publisher: CRC Press

Published: 2020-08-14

Total Pages: 374

ISBN-13: 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.

Chemical Thermodynamics for Process Simulation

Author: Jürgen Gmehling

Publisher: John Wiley & Sons

Published: 2019-06-10

Total Pages: 819

ISBN-13: 3527343253

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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.

Introductory Chemical Engineering Thermodynamics

Author: J. Richard Elliott

Publisher: Prentice Hall

Published: 2012-02-06

Total Pages: 912

ISBN-13: 0132901099

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A Practical, Up-to-Date Introduction to Applied Thermodynamics, Including Coverage of Process Simulation Models and an Introduction to Biological Systems Introductory Chemical Engineering Thermodynamics, Second Edition, helps readers master the fundamentals of applied thermodynamics as practiced today: with extensive development of molecular perspectives that enables adaptation to fields including biological systems, environmental applications, and nanotechnology. This text is distinctive in making molecular perspectives accessible at the introductory level and connecting properties with practical implications. Features of the second edition include Hierarchical instruction with increasing levels of detail: Content requiring deeper levels of theory is clearly delineated in separate sections and chapters Early introduction to the overall perspective of composite systems like distillation columns, reactive processes, and biological systems Learning objectives, problem-solving strategies for energy balances and phase equilibria, chapter summaries, and “important equations” for every chapter Extensive practical examples, especially coverage of non-ideal mixtures, which include water contamination via hydrocarbons, polymer blending/recycling, oxygenated fuels, hydrogen bonding, osmotic pressure, electrolyte solutions, zwitterions and biological molecules, and other contemporary issues Supporting software in formats for both MATLAB® and spreadsheets Online supplemental sections and resources including instructor slides, ConcepTests, coursecast videos, and other useful resources

Modelling and Simulation in Thermal and Chemical Engineering

Author: J. Thoma

Publisher: Springer Science & Business Media

Published: 2013-03-09

Total Pages: 229

ISBN-13: 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.

Engineering Thermodynamics: A Computer Approach (SI Units Version)

Author: R. K. Rajput

Publisher: Jones & Bartlett Publishers

Published: 2009-03-12

Total Pages: 967

ISBN-13: 1449662250

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Intended as a textbook for “applied” or engineering thermodynamics, or as a reference for practicing engineers, the book uses extensive in-text, solved examples and computer simulations to cover the basic properties of thermodynamics. Pure substances, the first and second laws, gases, psychrometrics, the vapor, gas and refrigeration cycles, heat transfer, compressible flow, chemical reactions, fuels, and more are presented in detail and enhanced with practical applications. This version presents the material using SI Units and has ample material on SI conversion, steam tables, and a Mollier diagram. A CD-ROM, included with the print version of the text, includes a fully functional version of QuickField (widely used in industry), as well as numerous demonstrations and simulations with MATLAB, and other third party software.

Entropy Generation Minimization

Author: Adrian Bejan

Publisher: CRC Press

Published: 1995-10-20

Total Pages: 400

ISBN-13: 9780849396519

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This book presents the diverse and rapidly expanding field of Entropy Generation Minimization (EGM), the method of thermodynamic optimization of real devices. The underlying principles of the EGM method - also referred to as "thermodynamic optimization," "thermodynamic design," and "finite time thermodynamics" - are thoroughly discussed, and the method's applications to real devices are clearly illustrated. The EGM field has experienced tremendous growth during the 1980s and 1990s. This book places EGM's growth in perspective by reviewing both sides of the field - engineering and physics. Special emphasis is given to chronology and to the relationship between the more recent work and the pioneering work that outlined the method and the field. Entropy Generation Minimization combines the fundamental principles of thermodynamics, heat transfer, and fluid mechanics. EGM applies these principles to the modeling and optimization of real systems and processes that are characterized by finite size and finite time constraints, and are limited by heat and mass transfer and fluid flow irreversibilities. Entropy Generation Minimization provides a straightforward presentation of the principles of the EGM method, and features examples that elucidate concepts and identify recent EGM advances in engineering and physics. Modern advances include the optimization of storage by melting and solidification; heat exchanger design; power from hot-dry-rock deposits; the on & off operation of defrosting refrigerators and power plants with fouled heat exchangers; the production of ice and other solids; the maximization of power output in simple power plant models with heat transfer irreversibilities; the minimization of refrigerator power input in simple models; and the optimal collection and use of solar energy.

Discover Entropy and the Second Law of Thermodynamics

Author:

Publisher:

Published:

Total Pages:

ISBN-13: 9814465267

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