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An Introduction to Applied Statistical Thermodynamics |  |
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An Introduction to Applied Statistical Thermodynamics | |
1. Introduction to Statistical Thermodynamics.
1.1 Probabistic Description.
1.2 Macrostates and Microstates.
1.3 Quantum Mechanics Description of Microstates.
1.4 The Postulates of Statistical Mechanics.
1.5 The Boltzmann Energy Distribution.
2. The Canonical Partition Function.
2.1 Some Properties of the Canonical Partition Function.
2.2 Relationship of the Canonical Partition Function to Thermodynamic Properties.
2.3 Canonical Partition Function for a Molecule with Several Independent Energy Modes.
2.4 Canonical Partition Function for a Collection of Noninteracting Identical Atoms.
Problems.
3. The Ideal Monatomic Gas.
3.1 Canonical Partition Function for the Ideal Monatomic Gas.
3.2 Identification of b as 1/kT.
3.3 General Relationships of the Canonical Partition Function to Other Thermodynamic Quantities.
3.4 The Thermodynamic Properties of the Ideal Monatomic Gas.
3.5 Energy Fluctuations in the Canonical Ensemble.
3.6 The Gibbs Entropy Equation.
3.7 Translational State Degeneracy.
3.8 Distinguishability, Indistinguishability and the Gibbs' Paradox.
3.9 A Classical Mechanics – Quantum Mechanics Comparison: The Maxwell-Boltzmann Distribution of Velocities.
Problems.
4. Ideal Polyatomic Gas.
4.1 The Partition Function for an Ideal Diatomic Gas.
4.2 The Thermodynamic Properties of the Ideal Diatomic Gas.
4.3 The Partition Function for an Ideal Polyatomic Gas.
4.4 The Thermodynamic Properties of an Ideal Polyatomic Gas.
4.5 The Heat Capacities of Ideal Gases.
4.6 Normal Mode Analysis: the Vibrations of a Linear Triatomic Molecule.
Problems.
5. Chemical Reactions in Ideal Gases.
5.1 The Non-Reacting Ideal Gas Mixture.
5.2 Partition Function of a Reacting Ideal Chemical Mixture.
5.3 Three Different Derivations of the Chemical Equilibrium Constant in an Ideal Gas Mixture.
5.4 Fluctuations in a Chemically Reacting System.
5.5 The Chemically Reacting Gas Mixture. The General Case.
5.6 An Example. The Ionization of Argon.
Problems.
6. Other Partition Functions.
6.1 The Microcanonical Ensemble.
6.2 The Grand Canonical Ensemble.
6.3 The Isobaric-Isothermal Ensemble.
6.4 The Restricted Grand or Semi Grand Canonical Ensemble.
6.5 Comments on the Use of Different Ensembles.
Problems.
7. Interacting Molecules in a Gas.
7.1 The Configuration Integral.
7.2 Thermodynamic Properties from the Configuration Integral.
7.3 The Pairwise Additivity Assumption.
7.4 Mayer Cluster Function and Irreducible Integrals.
7.5 The Virial Equation of State.
7.6 The Virial Equation of State for Polyatomic Molecules.
7.7 Thermodynamic Properties from the Virial Equation of State.
7.8 Derivation of Virial Coefficient Formulae from the Grand Canonical Ensemble.
7.9 Range of Applicability of the Virial Equation.
Problems.
8. Intermolecular Potentials and the Evaluation of the Second Virial Coefficient.
8.1 Interaction Potentials for Spherical Molecules.
8.2 Interaction Potentials Between Unlike Atoms.
8.3 Interaction Potentials for Nonspherical Molecules.
8.4 Engineering Applications/Implications of the Virial Equation of State.
Problems.
9. Monatomic Crystals.
9.1 The Einstein Model of a Crystal.
9.2 The Debye Model of a Crystal.
9.3 Test of the Einstein and Debye Models for a Crystal.
9.4 Sublimation Pressures of Crystals.
9.5 A Comment of the Third Law of Thermodynamics.
Problems.
10. Simple Lattice Models of Fluids.
10.1 Introduction.
10.2 Development of Equations of State from Lattice Theory.
10.3 Activity Coefficient Models for Similar Size Molecules from Lattice Theory.
10.4 Flory-Huggins and Other Models for Polymer Systems.
10.5 The Ising Model.
Problems.
11. Interacting Molecules in a Dense Fluid. Configurational Distribution Functions.
11.1 Reduced Spatial Probability Density Functions.
11.2 Thermodynamic Properties from the Pair Correlation Function.
11.3 The Pair Correlation Function (Radial Distribution Function) at Low Density.
11.4 Methods of Determination of the Pair Correlation Function at High Density
11.5 Fluctuations in the Number of Particles and the Compressibility Equation
11.6 Determination of the Radial Distribution Function of Fluids using Coherent X-ray or Neutron Scattering.
11.7 Determination of the Radial Distribution Functions of Molecular Liquids.
11.8 Determination of the Coordination Number from the Radial Distribution Function.
11.9 Determination of the Radial Distribution Function of Colloids and Proteins.
Problems.
12. Integral Equation Theories for the Radial Distribution Function.
12.1 The Potential of Mean Force.
12.2 The Kirkwood Superposition Approximation.
12.3 The Ornstein-Zernike Equation.
12.4 Closures for the Ornstein-Zernike Equation.
12.5 The Percus-Yevick Equation of State.
12.6 The Radial Distribution Function and Thermodynamic Properties of Mixtures.
12.7 The Potential of Mean Force.
12.8 Osmotic Pressure and the Potential of Mean Force for Protein and Colloidal Solutions.
Problems.
13. Computer Simulation.
13.1 Introduction to Molecular Level Simulation.
13.2 Thermodynamic Properties from Molecular Simulation.
13.3 Monte Carlo Simulation.
13.4 Molecular Dynamics Simulation.
Problems.
14. Perturbation Theory.
14.1 Perturbation Theory for the Square-Well Potential.
14.2 First Order Barker-Henderson Perturbation Theory.
14.3 Second Order Perturbation Theory.
14.4 Perturbation Theory Using Other Potentials.
14.5 Engineering Applications of Perturbation Theory.
Problems.
15. Debye-Hückel Theory of Electrolyte Solutions.
15.1 Solutions Containing Ions (and electrons).
15.2 Debye-Hückel Theory.
15.3 The Mean Ionic Activity Coefficient.
Problems.
16. The Derivation of Thermodynamic Models from the Generalized van der Waals
Partition Function.
16.1 The Statistical Mechanical Background.
16.2 Application of the Generalized van der Waals Partition Function to Pure Fluids.
16.3 Equation of State for Mixtures from the Generalized van der Waals Partition Function.
16.4 Activity Coefficient Models from the Generalized van der Waals Partition Function.
16.5 Chain Molecules and Polymers.
16.6 Hydrogen-bonding and Associating Fluids.
Problems.
网友对An Introduction to Applied Statistical Thermodynamics的评论
Really well written textbook. It makes the subject very easy to understand.
This book seems like it wasn't even read through before published. Many equations are incorrect, names are misspelled, tons of run-on-sentences and an overall lack of real, quality explanations. Do not get this book
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My husband needs this book for his spring engineering course, and we got it at about a 50% discount. Man, are we glad we did - at least by our first impression. This text is no more than a half to 3/4 inch thick. It is a softcover book. So far, we have no idea how good it is - only that it is required reading. So, my preliminary/early assessment is that paying full price for this text may be foolish if it's unnecessary. We are hoping the book proves its worth by being shelf-worthy beyond the scope of the course. That will take a little time.
If my husband is floored by the utility of this text I will come back and update the rating & review. If he isn't, this rank will stand.
Using this textbook I taught Statistical Thermodynamics in CHEG 825 at the Chemical Engineering Department at the University of Delaware to 24 first-year graduate students in 2010. Having based my lectures and homework assignments on this book, I became very familiar with the content. Although I had a choice of several alternative texts to use instead, there is no alternative text that I would have rather used.
The text is written with succinct clarity and is understandable to an advanced undergraduate or early graduate student. The reader should have a prior undergraduate course in physical chemistry, specifically covering classical thermodynamics, as well as exposure to basic concepts in probability. For example at the beginning, the basic machinery of the subject is introduced using lucid explanations probabilistic states, microstates and fundamental postulates which ultimately lead to a natural explanation and derivation of the Boltzmann energy distribution. Throughout the book each important result is derived and each derivation is presented step-by-step. This helps the reader follow how logical and physical arguments are expressed mathematically to derive the important results. Any reader can appreciate the detail with which derivations are presented. This helps to validate his/her own understanding and helps each student as (s)he applies the methods to new problems.
I also very much appreciate that the content is both practical and interesting. This is not an expository text on all statistical thermodynamics per se. Instead there are a couple themes that are helpful to emphasize during a course. The first theme is that using these methods one can begin to calculate important engineering properties given molecular structure. The student already knows (s)he cannot do this using purely-macroscopic, classical thermodynamics. Consequently this text might be a student's first foray to understand quantitatively molecular structure-property relationships. The perspective buyer can read the table of contents to see how this is done step-by-step. The second theme is that the material can explain how many common engineering material property correlations came about, why they have limitations and how they can be improved. Now the thermodynamic correlations learned earlier in the classical thermodynamics course make sense. I found this helps elicit students' interest in the material. I found these two themes useful in my lectures.
I heartily recommend this book to those teaching+learning statistical thermodynamics as a prelude to the more esoteric methods in this field. The book provides a lucid communication of the basic concepts as well as useful methods and results which can be applied in numerous technical fields.
Straight forward and easy to follow. You can almost read is straight through it (at least the first 2 or 3 chapters) without having to retrace and think out what he is trying to say.
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