Liquid-state physical chemistry : fundamentals, modeling, and applications / Gijsbertus de With.

Format:

Book

Author/Creator:

With, Gijsbertus de.

Language:

English

Subjects (All):

Liquids.

Physical Description:

1 online resource (558 p.)

Edition:

1st ed.

Place of Publication:

Weinheim : Wiley-VCH Verlag GmbH & Co. KGaA, 2013.

Language Note:

English

Summary:

This is the only comprehensive introduction to this central topic and thus a must-have for many chemists, chemical engineers and material scientists. The book describes the behavior of liquids and solutions and their simplest applications in a basic and self-contained way. The author has extensive experience from research in areas where the theoretical concepts of liquids are applied and adopts here a clear, well-structured approach to provide an excellent overview of pure liquids, simple non-electrolyte, electrolyte and polymeric solutions, as well as the most important types of react

Contents:

Cover; Related Titles; Title page; Copyright page; Contents; Preface; Acknowledgments; List of Important Symbols and Abbreviations; 1: Introduction; 1.1 The Importance of Liquids; 1.2 Solids, Gases, and Liquids; 1.3 Outline and Approach; 1.4 Notation; References; Further Reading; 2: Basic Macroscopic and Microscopic Concepts: Thermodynamics, Classical, and Quantum Mechanics; 2.1 Thermodynamics; 2.1.1 The Four Laws; 2.1.2 Quasi-Conservative and Dissipative Forces; 2.1.3 Equation of State; 2.1.4 Equilibrium; 2.1.5 Auxiliary Functions; 2.1.6 Some Derivatives and Their Relationships

2.1.7 Chemical Content2.1.8 Chemical Equilibrium; 2.2 Classical Mechanics; 2.2.1 Generalized Coordinates; 2.2.2 Hamilton's Principle and Lagrange's Equations; 2.2.3 Conservation Laws; 2.2.4 Hamilton's Equations; 2.3 Quantum Concepts; 2.3.1 Basics of Quantum Mechanics; 2.3.2 The Particle-in-a-Box; 2.3.3 The Harmonic Oscillator; 2.3.4 The Rigid Rotator; 2.4 Approximate Solutions; 2.4.1 The Born-Oppenheimer Approximation; 2.4.2 The Variation Principle; 2.4.3 Perturbation Theory; References; Further Reading; 3: Basic Energetics: Intermolecular Interactions; 3.1 Preliminaries

3.2 Electrostatic Interaction3.3 Induction Interaction; 3.4 Dispersion Interaction; 3.5 The total Interaction; 3.6 Model Potentials; 3.7 Refinements; 3.7.1 Hydrogen Bonding; 3.7.2 Three-Body Interactions; 3.7.3 Accurate Empirical Potentials; 3.8 The Virial Theorem; References; Further Reading; 4: Describing Liquids: Phenomenological Behavior; 4.1 Phase Behavior; 4.2 Equations of State; 4.3 Corresponding States; 4.3.1 Extended Principle; References; Further Reading; 5: The Transition from Microscopic to Macroscopic: Statistical Thermodynamics; 5.1 Statistical Thermodynamics

5.1.1 Some Concepts5.1.2 Entropy and Partition Functions; 5.1.3 Fluctuations; 5.2 Perfect Gases; 5.2.1 Single Particle; 5.2.2 Many Particles; 5.2.3 Pressure and Energy; 5.3 The Semi-Classical Approximation; 5.4 A Few General Aspects; 5.5 Internal Contributions; 5.5.1 Vibrations; 5.5.2 Rotations; 5.5.3 Electronic Transitions; 5.6 Real Gases; 5.6.1 Single Particle; 5.6.2 Interacting Particles; 5.6.3 The Virial Expansion: Canonical Method; 5.6.4 The Virial Expansion: Grand Canonical Method; 5.6.5 Critique and Some Further Remarks; References; Further Reading

6: Describing Liquids: Structure and Energetics6.1 The Structure of Solids; 6.2 The Meaning of Structure for Liquids; 6.2.1 Distributions Functions; 6.2.2 Two Asides; 6.3 The Experimental Determination of g(r); 6.4 The Structure of Liquids; 6.5 Energetics; 6.6 The Potential of Mean Force; References; Further Reading; 7: Modeling the Structure of Liquids: The Integral Equation Approach; 7.1 The Vital Role of the Correlation Function; 7.2 Integral Equations; 7.2.1 The Yvon-Born-Green Equation; 7.2.2 The Kirkwood Equation; 7.2.3 The Ornstein-Zernike Equation; 7.2.4 The Percus-Yevick Equation

7.2.5 The Hyper-Netted Chain Equation

Notes:

Description based upon print version of record.

Includes bibliographical references and index.

ISBN:

9783527676774

3527676775

9783527676750

3527676759

9783527676781

3527676783

OCLC:

854520856