Statistical mechanics of liquids and solutions : intermolecular forces, structure and surface interactions. Volume I

Statistical mechanics of liquids and solutions : intermolecular forces, structure and surface interactions. Volume I /

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Bibliographic Details
Main Author: Kjellander, Roland, 1948- (Author)
Format: Electronic eBook
Language:English
Published: Boca Raton, Florida : CRC Press, [2020]
Subjects:
Statistical mechanics.
Online Access:Connect to this title online (unlimited simultaneous users allowed; 325 uses per year)
Table of Contents:
  • Machine generated contents note: ch. 1 Introduction
  • 1.1. Microscopic Definitions of Entropy and Temperature
  • 1.1.1. Simple Illustrative Example
  • 1.1.2. Microscopic Definition of Entropy and Temperature for Isolated Systems
  • 1.2. Quantum vs Classical Mechanical Formulations of Statistical Mechanics: An Example
  • 1.2.1. Monatomic Ideal Gas: Quantum Treatment
  • 1.2.2. Monatomic Ideal Gas: Classical Treatment
  • Appendix 1A: Alternative Expressions for the Entropy of an Isolated System
  • ch. 2 Statistical Mechanics from a Quantum Perspective
  • 2.1. Postulates and Some Basic Definitions
  • 2.2. Isolated Systems: The Microcanonical Ensemble
  • 2.3. Thermal Equilibria and the Canonical Ensemble
  • 2.3.1. Canonical Ensemble and Boltzmann's Distribution Law
  • 2.3.2. Calculations of Thermodynamical Quantities; the Connection with Partition Functions
  • 2.3.2.1. Helmholtz Free Energy
  • 2.3.2.2. Thermodynamical Quantities as Averages
  • 2.3.2.3. Entropy in the Canonical Ensemble
  • 2.4. Constant Pressure: The Isobaric-Isothermal Ensemble
  • 2.4.1. Probabilities and the Isobaric-Isothermal Partition Function
  • 2.4.2. Thermodynamical Quantities in the Isobaric-Isothermal Ensemble
  • 2.4.2.1. Gibbs Free Energy
  • 2.4.2.2. Probabilities and Thermodynamical Quantities
  • 2.4.2.3. Entropy in the Isobaric-Isothermal Ensemble
  • 2.5. Open Systems: Chemical Potential and the Grand Canonical Ensemble
  • 2.5.1. Probabilities and the Grand Canonical Partition Function
  • 2.5.2. Thermodynamical Quantities in the Grand Canonical Ensemble
  • 2.6. Fluctuations in Thermodynamical Variables
  • 2.6.1. Fluctuations in Energy in the Canonical Ensemble
  • 2.6.2. Fluctuations in Number of Particles in the Grand Canonical Ensemble
  • 2.6.3. Fluctuations in the Isobaric-Isothermal Ensemble
  • 2.7. Independent Subsystems
  • 2.7.1. Ideal Gas and Single-Particle Partition Functions
  • 2.7.2. Translational Single-Particle Partition Function
  • Appendix 2A: The Volume Dependence of S and Quasistatic Work
  • Appendix 2B: Stricter Derivations of Probability Expressions
  • ch. 3 Classical Statistical Mechanics
  • 3.1. Systems with N Spherical Particles
  • 3.2. Canonical Ensemble
  • 3.3. Grand Canonical Ensemble
  • 3.4. Real Gases
  • ch. 4 Illustrative Examples from Some Classical Theories of Fluids
  • 4.1. Ising Model
  • 4.2. Ising Model Applied to Lattice Gases and Binary Liquid Mixtures
  • 4.2.1. Ideal Lattice Gas
  • 4.2.2. Ideal Liquid Mixture
  • 4.2.3. Bragg-William Approximation
  • 4.2.3.1. Regular Solution Theory
  • 4.2.3.2. Some Applications of Regular Solution Theory
  • 4.2.3.3. Flory-Huggins Theory for Polymer Solutions
  • ch. 5 Interaction Potentials and Distribution Functions
  • 5.1. Bulk Fluids of Spherical Particles. The Radial Distribution Function
  • 5.2. Number Density Distributions: Density Profiles
  • 5.3. Force Balance and the Boltzmann Distribution for Density: Potential of Mean Force
  • 5.4. Relationship to Free Energy and Chemical Potential
  • 5.5. Distribution Functions of Various Orders for Spherical Particles
  • 5.5.1. Singlet Distribution Function
  • 5.5.2. Pair Distribution Function
  • 5.5.3. Distribution Functions in the Canonical Ensemble
  • 5.6. structure factor for homogeneous and inhomogeneous fluids
  • 5.7. Thermodynamical Quantities from Distribution Functions
  • 5.8. Microscopic density distributions and density-density correlations
  • 5.9. Distribution Function Hierarchies and Closures, Preliminaries
  • 5.10. Distribution Functions in the Grand Canonical Ensemble
  • 5.11. Born-Green-Yvon Equations
  • 5.12. Mean Field Approximations for Bulk Systems
  • 5.13. Computer Simulations and Distribution Functions
  • 5.13.1. General Background
  • 5.13.1.1. Basics of Molecular Dynamics Simulations
  • 5.13.1.2. Basics of Monte Carlo Simulations
  • 5.13.2. Bulk Fluids
  • 5.13.2.1. Boundary Conditions
  • 5.13.2.2. Distribution Functions
  • 5.13.2.3. Thermodynamical Quantities
  • 5.13.3. Inhomogeneous Fluids
  • 5.13.3.1. Density Profiles Outside Macroparticles or Near Planar Surfaces
  • 5.13.3.2. Pair Distribution Functions
  • Appendix 5A: The Dirac Delta Function
  • ch. 6 Interactions and Correlations in Simple Bulk Electrolytes
  • 6.1. Poisson-Boltzmann (PB) Approximation
  • 6.1.1. Bulk Electrolytes, Basic Treatment
  • 6.1.2. Decay of Electrostatic Potential and Effective Charges of Particles
  • 6.1.2.1. Concept of Effective Charge
  • 6.1.2.2. Electrostatic Potential from Nonspherical Particles
  • 6.1.2.3. Decay of Electrostatic Potential from Spherical and Nonspherical Particles
  • 6.1.3. Interaction between two Particles Treated on an Equal Basis
  • 6.1.3.1. Background
  • 6.1.3.2. Decay of Interaction between Two Nonspherical Macroions
  • 6.1.4. Interaction between Two Macroions for all Separations
  • 6.1.4.1. Poisson-Boltzmann Treatment
  • 6.1.4.2. Electrostatic Part of Pair Potential of Mean Force, General Treatment
  • 6.1.5. One Step beyond PB: What Happens When all Ions are Treated on an Equal Basis?
  • 6.2. Electrostatic Screening in Simple Bulk Electrolytes, General Case
  • 6.2.1. Electrostatic Interaction Potentials
  • 6.2.1.1. Polarization Response and Nonlocal Electrostatics
  • 6.2.1.2. Potential of Mean Force and Dressed Particles
  • 6.2.1.3. Screened Electrostatic Interactions
  • 6.2.2. Decay Behavior and the Screening Decay Length
  • 6.2.2.1. Oscillatory and Monotonic Exponential Decays: Explicit Examples
  • 6.2.2.2. Roles of Effective Charges, Effective Dielectric Permittivities and the Decay Parameter K
  • 6.2.2.3. Significance of the Asymptotic Decays: Concrete Examples
  • 6.2.3. Density-Density, Charge-Density and Charge-Charge Correlations
  • Appendix 6A: The Orientational Variable ω
  • Appendix 6B: Variations in Density Distribution When the External Potential is Varied; the First Yvon Equation
  • Appendix 6C: Definitions of the HNN, HQN and HQQ Correlation Functions
  • ch. 7 Inhomogeneous and Confined Simple Fluids
  • 7.1. Electric Double-Layer Systems
  • 7.1.1. Poisson-Boltzmann (Gouy-Chapman) Theory
  • 7.1.1.1. Poisson-Boltzmann Equation for Planar Double Layers
  • 7.1.1.2. Case of Symmetric Electrolytes
  • 7.1.1.3. Effective Surface Charge Densities and the Decay of the Electrostatic Potential
  • 7.1.2. Electrostatic Screening in Electric Double-Layers, General Case
  • 7.1.2.1. Decay of the Electrostatic Potential Outside a Wall
  • 7.1.2.2. Decay of Double-Layer Interactions: Macroion-Wall and Wall-Wall
  • 7.1.3. Ion-Ion Correlation Effects in Electric Double-Layers: Explicit Examples
  • 7.1.4. Electric Double-Layers with Surface Polarizations (Image Charge Interactions)
  • 7.1.5. Electric Double-Layers with Dispersion Interactions
  • 7.2. Structure of Inhomogeneous Fluids on the Pair Distribution Level
  • 7.2.1. Inhomogeneous Simple Fluids
  • 7.2.1.1. Lennard-Jones Fluids
  • 7.2.1.2. Hard Sphere Fluids
  • 7.2.2. Primitive Model Electrolytes
  • 7.2.2.1. Pair Distributions in the Electric Double-Layer
  • 7.2.2.2. Ion-Ion Correlations Forces: Influences on Density Profiles
  • Appendix 7A: Solution of PB Equation for a Surface in Contact with a Symmetric Electrolyte
  • Appendix 7B: Electric Double-Layers with Ion-Wall Dispersion Interactions in Linearized PB Approximation
  • ch. 8 Surface Forces
  • 8.1. General Considerations
  • 8.1.1. Disjoining Pressure and the Free Energy of Interaction
  • 8.1.2. Electric Double-Layer Interactions, Some General Matters
  • 8.2. Poisson-Boltzmann Treatment of Electric Double-Layer Interactions
  • 8.2.1. Equally Charged Surfaces
  • 8.2.2. Arbitrarily Charged Surfaces
  • 8.2.3. Electrostatic part of double-layer interactions, general treatment
  • 8.3. Surface Forces and Pair Correlations, General Considerations
  • 8.4. Structural Surface Forces
  • 8.5. Electric Double-Layer Interactions with lon-lon Correlations
  • 8.5.1. Counterions between Charged Surfaces
  • 8.5.2. Equilibrium with Bulk Electrolyte
  • 8.6. Van der Waals Forces and Image Interactions in Electric Double-Layer Systems
  • 8.6.1. Van der Waals Interactions and Mean Field Electrostatics: The DLVO Theory
  • 8.6.2. Effects of Ion-Ion Correlations on Van der Waals Interactions. Ionic Image Charge Interactions
  • 8.6.3. Inclusion of Dispersion Interactions for the Ions
  • Appendix 8A: Solution of PB Equation for Counterions between Two Surfaces
  • Appendix 8B: Proofs of Two Expressions for Pslit.

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