THERMODYNAMICS – KINETICS OF DYNAMIC SYSTEMS Edited by Juan Carlos Moreno-Piraján Thermodynamics – Kinetics of Dynamic Systems Edited by Juan Carlos Moreno-Piraján Published by InTech Janeza Trdine 9, 51000 Rijeka, Croatia Copyright © 2011 InTech All chapters are Open Access articles distributed under the Creative Commons Non Commercial Share Alike Attribution 3.0 license, which permits to copy, distribute, transmit, and adapt the work in any medium, so long as the original work is properly cited. After this work has been published by InTech, authors have the right to republish it, in whole or part, in any publication of which they are the author, and to make other personal use of the work. Any republication, referencing or personal use of the work must explicitly identify the original source. Statements and opinions expressed in the chapters are these of the individual contributors and not necessarily those of the editors or publisher. 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ISBN 978-953-307-627-0 free online editions of InTech Books and Journals can be found at www.intechopen.com Contents Preface IX Chapter 1 Some Thermodynamic Problems in Continuum Mechanics 1 Zhen-Bang Kuang Chapter 2 First Principles of Prediction of Thermodynamic Properties 21 Hélio F. Dos Santos and Wagner B. De Almeida Chapter 3 Modeling and Simulation for Steady State and Transient Pipe Flow of Condensate Gas 65 Li Changjun, Jia Wenlong and Wu Xia Chapter 4 Extended Irreversible Thermodynamics in the Presence of Strong Gravity 85 Hiromi Saida Chapter 5 Kinetics and Thermodynamics of Protein Folding 111 Hongxing Lei and Yong Duan Chapter 6 Closing the Gap Between Nano- and Macroscale: Atomic Interactions vs. Macroscopic Materials Behavior 129 T. Böhme, T. Hammerschmidt, R. Drautz and T. Pretorius Chapter 7 Applications of Equations of State in the Oil and Gas Industry 165 Ibrahim Ashour, Nabeel Al-Rawahi, Amin Fatemi and Gholamreza Vakili-Nezhaad Chapter 8 Shock Structure in the Mixture of Gases: Stability and Bifurcation of Equilibria 179 Srboljub Simić Chapter 9 Chromia Evaporation in Advanced Ultra-Supercritical Steam Boilers and Turbines 205 Gordon R. Holcomb VI Contents Chapter 10 Thermohydrodynamics: Where Do We Stand? 227 L. S. García–Colín, J. I. Jiménez–Aquino and F. J. Uribe Chapter 11 Calorimetric Investigations of Non-Viral DNA Transfection Systems 255 Tranum Kaur, Naser Tavakoli, Roderick Slavcev and Shawn Wettig Chapter 12 Time Evolution of a Modified Feynman Ratchet with Velocity-Dependent Fluctuations and the Second Law of Thermodynamics 277 Jack Denur Chapter 13 Thermodynamics, Kinetics and Adsorption Properties of Some Biomolecules onto Mineral Surfaces 315 Özkan Demirbaş and Mahir Alkan Chapter 14 Irreversible Thermodynamics and Modelling of Random Media 331 Roland Borghi Chapter 15 Thermodynamic Approach for Amorphous Alloys from Binary to Multicomponent Systems 357 Lai-Chang Zhang Chapter 16 Equilibria Governing the Membrane Insertion of Polypeptides and Their Interactions with Other Biomacromolecules 381 Aisenbrey Christopher and Bechinger Burkhard Preface Thermodynamics is one of the most exciting branches of physical chemistry which has greatly contributed to the modern science. Since its inception, great minds have built their theories of thermodynamics. One should name those of Sadi Carnot, Clapeyron Claussius, Maxwell, Boltzman, Bernoulli, Leibniz etc. Josiah Willard Gibbs had perhaps the greatest scientific influence on the development of thermodynamics. His attention was for some time focused on the study of the Watt steam engine. Analysing the balance of the machine, Gibbs began to develop a method for calculating the variables involved in the processes of chemical equilibrium. He deduced the phase rule which determines the degrees of freedom of a physicochemical system based on the number of system components and the number of phases. He also identified a new state function of thermodynamic system, the so-called free energy or Gibbs energy (G), which allows spontaneity and ensures a specific physicochemical process (such as a chemical reaction or a change of state) experienced by a system without interfering with the environment around it. The essential feature of thermodynamics and the difference between it and other branches of science is that it incorporates the concept of heat or thermal energy as an important part in the energy systems. The nature of heat was not always clear. Today we know that the random motion of molecules is the essence of heat. Some aspects of thermodynamics are so general and deep that they even deal with philosophical issues. These issues also deserve a deeper consideration, before tackling the technical details. The reason is a simple one - before one does anything, one must understand what they want. In the past, historians considered thermodynamics as a science that is isolated, but in recent years scientists have incorporated more friendly approach to it and have demonstrated a wide range of applications of thermodynamics. These four volumes of applied thermodynamics, gathered in an orderly manner, present a series of contributions by the finest scientists in the world and a wide range of applications of thermodynamics in various fields. These fields include the environmental science, mathematics, biology, fluid and the materials science. These four volumes of thermodynamics can be used in post-graduate courses for students and as reference books, since they are written in a language pleasing to the reader. X Preface They can also serve as a reference material for researchers to whom the thermodynamics is one of the area of interest. Juan Carlos Moreno-Piraján Department of Chemistry University of the Andes Colombia [...]... Michael and Boles, 2 011 ) Classical thermodynamics model exchanges of energy, work and heat based on the laws of thermodynamics The first law of thermodynamics is a principle of conservation of energy and defines a specific internal energy which is a state function of the system The second law of thermodynamics is a principle to explain the irreversibile phenomenon in nature The entropy of an isolated non-equilibrium... materials 3 Physical variational principle 3 .1 General theory Usually it is considered that the first law of thermodynamics is only a principle of the energy conservation But we found that the first law of thermodynamics is also a physical variational principle (Kuang, 2007, 2008a, 2008b, 2009a 2 011 a, 2 011 b) Therefore the first law of the classical thermodynamics includes two aspects: energy conservation... 1T,i  LijT 1  ,i d   n j  LijT,i  Dij  ,i d da a  V 0 t 0 ij 1 T,i  LijT 1  ,i 0 t ,j d    LijT,i  Dij  ,i 0 t a a       T 1rd  dV   s dV   c  dV  V 0 V V     da    da   aq ad  T t V 0 1    T,ii  T 1  i ,i d dV  0 (48) 14 Thermodynamics – Kinetics of Dynamic Systems where   T T   ij   ij   ij  ,  ij     1. .. analysis the medium and its environment should be considered together as shown in Fig 1 (Kuang, 2 011 a, 2 011 b), because the electromagnetic field exists in all space Under the assumption that u , , , u env , env , env satisfy their 16 Thermodynamics – Kinetics of Dynamic Systems Boundary of environment I Fig 1 Electromagnetic medium and its environment env env env boundary conditions on their own boundaries... (2) we still get the same equation (12 ) Substituting the stress σ in Eq (15 ) into (13 ) we get  Cijkl kl  ijklkl   ij , j  fi  ui ,   or  ui  C ijkluk ,lj   ijkluk ,lj   ij, j  f i (16 ) In one dimensional problem for the isotropic material from Eq (15 ) we have    Y     , s    C / T0 (17 ) 6 Thermodynamics – Kinetics of Dynamic Systems where Y is the elastic modulus,... dV   Di Ep ,i updV    eEp up dV ,k V V V  *    Ep up da   Bi H p ,i updV   Bi ni H p up da a V a   1   1 2   int a env  D   where  1 is the part of  1 due to the local variations of u , , ;  1 is the part of  1 due to the migratory variations of  , Substituting the following identity   Di Ep ,i updV    eEp up dV    *Ep up da   Bi H p ,i updV V... 2008b, 2009a, 2009b, 2 010 , 2 011 a, 2 011 b) For the case without chemical potential g e  g e is the electromagnetic Gibbs free energy For the case without electromagnetic field g e  g  is the Gibbs free energy with chemical potential For the case without chemical potential and electromagnetic field g e  g is the Helmholtz free energy 2 Thermodynamics – Kinetics of Dynamic Systems In this chapter... 1 Some Thermodynamic Problems in Continuum Mechanics Zhen-Bang Kuang Shanghai Jiaotong University, Shanghai China 1 Introduction Classical thermodynamics discusses the thermodynamic system, its surroundings and their common boundary It is concerned with the state of thermodynamic systems at equilibrium, using macroscopic, empirical properties directly measurable in the laboratory (Wang, 19 55;... (27) 8 Thermodynamics – Kinetics of Dynamic Systems C  ijkl kl ij    f  u ,   H +e      e m  ekij Ek  ekij H k   ij e E j +ekij kl   ie  ,i  e , i ,j ij i m kij kl j m i ,i (28) 0 where  e is the density of the electric charge The boundary conditions are omitted here 2.5 Thermal diffusion wave in linear thermoelastic material The Gibbs equation of the classical thermodynamics. .. and assume that T,i and  , j are not dependent each other, i.e in Eq (31b) we assume    i  ijT 1T, j , i  Dij  , j , then for r  0 , Eq (35) becomes       T  ij ui , j  C / T0  a  s  ij, j   b  bij ui , j    a  c   Dij  , ji ; In medium (36) 10 Thermodynamics – Kinetics of Dynamic Systems The formulas in literatures analogous to Eq (34) can be found, such . THERMODYNAMICS – KINETICS OF DYNAMIC SYSTEMS Edited by Juan Carlos Moreno-Piraján Thermodynamics – Kinetics of Dynamic Systems Edited by Juan. laboratory (Wang, 19 55; Yunus, Michael and Boles, 2 011 ). Classical thermodynamics model exchanges of energy, work and heat based on the laws of thermodynamics. The first law of thermodynamics is. Law of Thermodynamics 277 Jack Denur Chapter 13 Thermodynamics, Kinetics and Adsorption Properties of Some Biomolecules onto Mineral Surfaces 315 Özkan Demirbaş and Mahir Alkan Chapter 14