Liquid-State Physical Chemistry - Fundamentals, Modeling, and Applications

For many processes and applications in science and technology a basic knowledge of liquids and solutions is a must. Gaining a better understanding of the behavior and properties of pure liquids and solutions will help to improve many processes and to advance research in many different areas. This book provides a comprehensive, self-contained and integrated survey of this topic and is a must-have for many chemists, chemical engineers and material scientists, ranging from newcomers in the field to more experienced researchers. The authoroffers a clear, well-structured didactic approach and provides an overview of the most important types of liquids and solutions. Special topics include chemical reactions, surfaces and phase transitions. Suitable both for introductory as well as intermediate level as more advanced parts are clearly marked. Includes also problems and solutions.

List of contents

PREFACE INTRODUCTION The Importance of Liquids Solids, Gases, and Liquids Outline and Approach Notation BASIC MACROSCOPIC AND MICROSCOPIC CONCEPTS: THERMODYNAMICS, CLASSICAL, AND QUANTUM MECHANICS Thermodynamics Classical Mechanics Quantum Concepts Approximate Solutions BASIC ENERGETICS: INTERMOLECULAR INTERACTIONSPreliminaries Electrostatic Interaction Induction InteractionDispersion Interaction The Total Interaction Model Potentials Refinements The Virial Theorem DESCRIBING LIQUIDS: PHENOMENOLOGICAL BEHAVIOR Phase Behavior Equations of State Corresponding States THE TRANSITION FROM MICROSCOPIC TO MACROSCOPIC: STATISTICAL THERMODYNAMICS Statistical Thermodynamics Perfect Gases The Semi-Classical Approximation A Few General Aspects Internal Contributions Real Gases DESCRIBING LIQUIDS: STRUCTURE AND ENERGETICSThe Structure of Solids The Meaning of Structure for Liquids The Experimental Determination of g(r) The Structure of Liquids Energetics The Potential of Mean Force MODELING THE STRUCTURE OF LIQUIDS: THE INTEGRAL EQUATION APPROACH The Vital Role of the Correlation Function Integral Equations Hard-Sphere Results Perturbation Theory Molecular Fluids Final Remarks MODELING THE STRUCTURE OF LIQUIDS: THE PHYSICAL MODEL APPROACHPreliminaries Cell Models Hole Models Significant Liquid Structures Scaled-Particle Theory MODELING THE STRUCTURE OF LIQUIDS: THE SIMULATION APPROACH Preliminaries Molecular Dynamics The Monte Carlo Method An Example: Ammonia DESCRIBING THE BEHAVIOR OF LIQUIDS: POLAR LIQUIDS Basic Aspects Towards a Microscopic Interpretation Dielectric Behavior of Gases Dielectric Behavior of Liquids Water MIXING LIQUIDS: MOLECULAR SOLUTIONS Basic Aspects Ideal and Real Solutions Colligative Properties Ideal Behavior in Statistical Terms The Regular Solution Model A Slightly Different Approach The Activity Coefficient for Other Composition Measures Empirical ImprovementsTheoretical Improvements MIXING LIQUIDS: IONIC SOLUTIONS Ions in Solution The Born Model and Some Extensions Hydration Structure Strong and Weak Electrolytes Debye - Hückel Theory Structure and Thermodynamics Conductivity Conductivity Continued Final Remarks MIXING LIQUIDS: POLYMERIC SOLUTIONS Polymer Configurations Real Chains in Solution The Florry - Huggins Model Solubility Theory EoS Theories The SAFT Approach SOME SPECIAL TOPICS: REACTIONS IN SOLUTIONSKinetics Basics Transition State Theory Solvent Effects Diffusion Control Reaction Control Neutral Molecules Ionic Solutions Final Remarks SOME SPECIAL TOPICS: SURFACES OF LIQUIDS AND SOLUTIONS Thermodynamics of Surfaces One-Component Liquid Surfaces Gradient Theory Two-Component Liquid Surfaces Statistics of AdsorptionCharacteristic Adsorption Behavior Final Remarks SOME SPECIAL TOPICS: PHASE TRANSITIONS Some General Considerations Discontinuous Transitions Continuous Transitions and the Critical Point Scaling Renormalization Final Remarks APPENDIX A UNITS, PHYSICAL CONSTANTS, AND CONVERSION FACTORS Basic and Derived SI UnitsPhysical ConstantsConversion Factors for Non-SI Units Prefixes Greek Alphabet Standard Values APPENDIX B SOME USEFUL MATHEMATICS Symbols and Conventions Partial DerivativesComposite, Implicit, and Homogeneous FunctionsExtremes and Lagrange Multipliers Legendre Transforms Matrices and Determinants Change of Variables Scalars, Vectors, and Tensors Tensor Analysis Calculus of Variations Gamma Function Dirac and Heaviside Function Laplace and Fourier Transforms Some Useful Integrals and Expansions APPENDIX C THE LATTICE GAS MODEL The Lattice Gas Model The Zeroth Approximation or Mean Field Solution The First Approximation or Quasi-Chemical Solution Final Remarks APPENDIX D ELEMENTS OF ELECTROSTATICS Coulomb, Gauss, Poisson, and Laplace A Dielectric Sphere in a Dielectric Matrix A Dipole in a Spherical Cavity APPENDIX E DATA APPENDIX F NUMERICAL ANSWERS TO SELECTED PROBLEMSINDEX

About the author

Gijsbertus de With is full professor in materials science. He graduated from Utrecht State University and received his PhD in 1977 from the University of Twente. In the same year he joined Philips Research Laboratories, Eindhoven. In 1985 he was appointed part-time professor and in 1996 he became full professor at the Eindhoven University of Technology. His research interests include the chemical and mechanical processing as well as the chemo-mechanical behavior of multi-phase materials. He has (co)-authored more than 250 research papers and holds about 15 patents. He is a member of the Advisory board of the J. Eur. Ceram. Soc., co-organized the first Eur. Ceram. Soc. Conference and is presently co-organizer of the Coatings Science International conferences. As of 1 September 2011 he has been appointed Vice-Dean of the department of Chemical Engineering & Chemistry. Recently he has been appointed Director Graduate Programs Chemical Engineering and Chemistry.

Summary

For many processes and applications in science and technology a basic knowledge of liquids and solutions is a must. Gaining a better understanding of the behavior and properties of pure liquids and solutions will help to improve many processes and to advance research in many different areas. This book provides a comprehensive, self-contained and integrated survey of this topic and is a must-have for many chemists, chemical engineers and material scientists, ranging from newcomers in the field to more experienced researchers. The author
offers a clear, well-structured didactic approach and provides an overview of the most important types of liquids and solutions. Special topics include chemical reactions, surfaces and phase transitions. Suitable both for introductory as well as intermediate level as more advanced parts are clearly marked. Includes also problems and solutions.

Product details

• Authors: Gijsbertus de With, Gijsbertus de With
• Publisher: Wiley-VCH
• Languages: English
• Product format: Hardback
• Released: 01.08.2013
• EAN: 9783527333226
• ISBN: 978-3-527-33322-6
• No. of pages: 560
• Dimensions: 178 mm x 258 mm x 35 mm
• Weight: 1194 g
• Subjects: Natural sciences, medicine, IT, technology > Chemistry > Physical chemistry; Chemie, Verfahrenstechnik, Physikalische Chemie, chemistry, Materialwissenschaften, Chemical Engineering, chemische Verfahrenstechnik, Materials science, Physical Chemistry, Allg. Chemische Verfahrenstechnik, Soft Matter, Weiche Materie