Table Of ContentTHERMODYNAMICS
FUNDAMENTALS
AND
ITS APPLICATION
IN SCIENCE
Edited by
Ricardo Morales-Rodriguez
THERMODYNAMICS –
FUNDAMENTALS AND ITS
APPLICATION IN SCIENCE
Edited by Ricardo Morales-Rodriguez
Thermodynamics – Fundamentals and Its Application in Science
http://dx.doi.org/10.5772/2615
Edited by Ricardo Morales-Rodriguez
Contributors
Ahmet Gürses, Mehtap Ejder-Korucu, Nikolai Bazhin, Yi Fang, Bohdan Hejna, A. Plastino,
Evaldo M. F. Curado, M. Casas, Zdeňka Kolská, Milan Zábranský, Alena Randová, Ronald J.
Bakker, Elisabeth Blanquet, Ioana Nuta, Lin Li, Rıza Atav, L.E. Panin, Yu Liu, Kui Wang, Philippe
Vieillard, Nong-Moon Hwang, Jae-Soo Jung, Dong-Kwon Lee, Vasiliy Fefelov, Vitaly Gorbunov,
Alexander Myshlyavtsev, Marta Myshlyavtseva, Adela Ionescu, Paiguy Armand Ngouateu
Wouagfack, Réné Tchinda, Raul Măluţan, Pedro Gómez Vilda, Xuejing Hou, Harvey J.M. Hou,
C.A.S. Silva, Hui-Zhen Fu, Yuh-Shan Ho
Published by InTech
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Copyright © 2012 InTech
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Typesetting InTech Prepress, Novi Sad
Cover InTech Design Team
First published September, 2012
Printed in Croatia
A free online edition of this book is available at www.intechopen.com
Additional hard copies can be obtained from [email protected]
Thermodynamics – Fundamentals and Its Application in Science,
Edited by Ricardo Morales-Rodriguez
p. cm.
ISBN 978-953-51-0779-8
Contents
Preface IX
Section 1 Classical Thermodynamics 1
Chapter 1 A View from the Conservation of
Energy to Chemical Thermodynamic 3
Ahmet Gürses and Mehtap Ejder-Korucu
Chapter 2 Useful Work and Gibbs Energy 29
Nikolai Bazhin
Section 2 Statistical Thermodynamics 45
Chapter 3 Gibbs Free Energy Formula for Protein Folding 47
Yi Fang
Chapter 4 Information Capacity of Quantum Transfer
Channels and Thermodynamic Analogies 83
Bohdan Hejna
Chapter 5 Thermodynamics’ Microscopic Connotations 119
A. Plastino, Evaldo M. F. Curado and M. Casas
Section 3 Property Prediction and Thermodynamics 133
Chapter 6 Group Contribution Methods for Estimation of Selected
Physico-Chemical Properties of Organic Compounds 135
Zdeňka Kolská, Milan Zábranský and Alena Randová
Chapter 7 Thermodynamic Properties and Applications
of Modified van-der-Waals Equations of State 163
Ronald J. Bakker
Chapter 8 Thermodynamics Simulations Applied to
Gas-Solid Materials Fabrication Processes 191
Elisabeth Blanquet and Ioana Nuta
VI Contents
Section 4 Material and Products 215
Chapter 9 Application of Thermodynamics
and Kinetics in Materials Engineering 217
Lin Li
Chapter 10 Thermodynamics of Wool Dyeing 247
Rıza Atav
Chapter 11 Mesomechanics and Thermodynamics of
Nanostructural Transitions in Biological Membranes
Under the Action of Steroid Hormones 263
L.E. Panin
Chapter 12 Thermodynamics of Resulting Complexes
Between Cyclodextrins and Bile Salts 305
Yu Liu and Kui Wang
Chapter 13 Thermodynamics of Hydration in Minerals:
How to Predict These Entities 339
Philippe Vieillard
Chapter 14 Thermodynamics and Kinetics in
the Synthesis of Monodisperse Nanoparticles 371
Nong-Moon Hwang, Jae-Soo Jung and Dong-Kwon Lee
Chapter 15 Statistical Thermodynamics of Lattice Gas
Models of Multisite Adsorption 389
Vasiliy Fefelov, Vitaly Gorbunov,
Alexander Myshlyavtsev and Marta Myshlyavtseva
Section 5 Non-Equilibrium Thermodynamics 417
Chapter 16 Influence of Simulation Parameters on the Excitable
Media Behaviour – The Case of Turbulent Mixing 419
Adela Ionescu
Chapter 17 ECOP Criterion for Irreversible
Three-Heat-Source Absorption Refrigerators 445
Paiguy Armand Ngouateu Wouagfack and Réné Tchinda
Section 6 Thermodynamics in Diverse Areas 461
Chapter 18 Thermodynamics of Microarray Hybridization 463
Raul Măluţan and Pedro Gómez Vilda
Chapter 19 Probing the Thermodynamics of Photosystem I by
Spectroscopic and Mutagenic Methods 483
Xuejing Hou and Harvey J.M. Hou
Contents VII
Chapter 20 Fuzzy Spheres Decays and Black Hole Thermodynamics 501
C.A.S. Silva
Chapter 21 Bibliometric Analysis of Thermodynamic Research:
A Science Citation Index Expanded-Based Analysis 519
Hui-Zhen Fu and Yuh-Shan Ho
Preface
This book is a result of a careful selection of scientific contributions involved in the
thermodynamic area and it is titled “Thermodynamics - Fundamentals and Its
Application in Science”. Thermodynamics is very important for the description of
phenomena in different fields on science. Therefore, this book contains chapters
describing the fundamentals and the diverse applications in different areas under
development, which allow the access of different kind of readers; for instance,
bachelor and postgraduate students, researchers, etc.
The book is divided in six sections and the classification was done according to the
purpose, relevance and approaches employed in the development of the contributions.
The first section describes the classical thermodynamics, where firstly an overview
about classical thermodynamics considering diverse fundamental concepts of the area
is described. This section also has a contribution presenting the mechanism of useful
work and heat production in reversible systems.
The second section includes some chapters based on statistical mechanics, for instance,
one of the chapters described the protein folding phenomena based on Gibbs free energy
through the use of quantum mechanics, topic of high importance currently. On the other
hand, another of the contributions in this section describes the information capacity of
quantum transfer channels and thermodynamics analogies. The last chapter of this
section introduces some axioms which allow one to derive the MaxEnt equations and
viceversa, giving an alternative foundation for equilibriums statistical mechanics.
The property prediction in thermodynamics is presented in the following section. A
chapter explaining the use and implementation of group contribution methods for
property prediction of organic compounds is firstly described. The description of pure
gases and multi/component fluid systems is presented in another chapter, which in
fact used a modified version of the Van der Waals equation. The last chapter is this
section illustrates the interest area of macroscopic modelling on the thermodynamics
simulation and gives some interesting examples in different domains in the material
and product design areas employing some predicted properties.
The fourth section contains the application of some thermodynamic insights in the
material and products area. One of the chapters introduces some computational
X Preface
results on the designing of advances material. A wool dyeing phenomenon described
by thermodynamics is presented in another contribution. On the other hand, some
authors talk about nanostructural transition in biological membranes under the action
of steroid hormones. In this section, a chapter highlighting the importance of
improving the understanding of molecular recognition mechanics in supramolecular
systems and the design and synthesis of new supramolecular systems based on
different kinds of cyclodextrins is also presented. The use of thermodynamics in the
mineral field is presented describing the hydration of minerals providing several
relationships illustrated by examples exhibiting great variability closely related to the
chemical and physical compound properties. The synthesis of monodisperse
nanoparticles is also described in one of the chapters of this section, relying on
thermodynamics and kinetic basis. The last chapter of the section talks about
thermodynamics of lattice gas models of multisite adsorption.
A section with chapters presenting non equilibrium approach is the fifth section of the
book. One of the chapters talks about the influence of certain parameters on excitable
media behaviour, specifically describing the turbulent mixing. Moreover, the other
chapter of this section presents an analytical method developed to achieve the
performance optimization of irreversible three-heat-sources absorption refrigeration
models having finite-rate of heat transfer, heat leakage and internal irreversibility
based on an objective function named ecological coefficient performance (ECOP).
The last section contains some chapters talking about diverse applications of
thermodynamics. For instance, one chapter discusses the importance of
thermodynamics in microarrays hybridization, due to thermodynamics factors affect
molecular interaction which in fact are not taken into account for the estimation of
genetic expression in current algorithms. Another chapter describes a case study
probing thermodynamics of electron transfer in photosystems using a combination of
molecular genetics and sophisticated biophysical techniques, in particular, pulsed
photoacoustic spectroscopy. The other chapter of this section address the black hole
thermodynamics in the context of topology change, as conceived for some classes of
quantum spaces called fuzzy spheres. The last chapter of the section and book shows a
bibliometric study about thermodynamic contributions giving a general picture about
the number of papers, institutions and countries working on certain thermodynamic
topics as well as the quality of the paper by their citations.
It is expected that the collections of these chapters contributes to the state of the art in
the thermodynamics area, which not only involve the fundamentals of
thermodynamics, but moreover, consider the wide applications of this area in several
fields.
Ricardo Morales-Rodriguez
Technical University of Denmark,
Denmark
