Sommaire et résumé disponibles sur le site de l'éditeur [consulté le 2013-03-11] http://www.springer.com/materials/book/978-90-481-3642-1 lien

Notes bibliogr. Index

La 4e de couverture indique : "This monograph covers the major available routes of theoretical research of nucleation phenomena––phenomenological models, semi-phenomenological theories, density functional theories and microscopic approaches––with emphasis on the formation of liquid droplets from a metastable vapor. It also illustrates the application of these various approaches to experimentally relevant problems. In spite of familiarity with the involved phenomena, it is still not possible to accurately calculate nucleation rate, as the properties of the daughter phase are insufficiently known. Existing theories based upon the classical nucleation theory have on the whole explained the trends in behavior correctly. However, they often fail spectacularly to account for new data, in particular in the case of binary or, more generally, multi-component nucleation. This book challenges such classical models and provides a more satisfactory description by using density functional theory and microscopic computer simulations to describe the properties of small clusters. Also, semi-phenomenological models are proposed that relate the properties of small clusters to known properties of the bulk phases. This monograph is an introduction as well as a compendium to researchers in the areas of soft condensed matter physics, chemical physics, graduate and post-graduate students in physics and chemistry starting on research in the area of nucleation, and to experimentalists wishing to gain a better understanding of the recent developments being made to account for their data."

1 INTRODUCTION 2 SOME THERMODYNAMIC ASPECTS OF TWO-PHASE SYSTEMS 2 1 Bulk Equilibrium Properties 2 2 Thermodynamics of the Interface 3 CLASSICAL NUCLEATION THEORY 3 1 Metastable States 3 2 Thermodynamics 3 3 Kinetics and Steady-State Nucleation Rate 3 4 Kelvin Equation 3 5 Katz Kinetic Approach 3 6 Consistency of Equilibrium Distributions 3 7 Zeldovich Theory 3 8 Transient Nucleation 3 9 Phenomenological Modifications of Classical Theory 4 NUCLEATION THEOREMS 4 1 Introduction 4 2 First Nucleation Theorem for Multi-Component Systems 4 3 Second Nucleation Theorem 4 4 Nucleation Theorems from Hill’s Thermodynamics of Small Systems 5 DENSITY FUNCTIONAL THEORY 5 1 Nonclassical View on Nucleation 5 2 Fundamentals of the Density Functional Approach in the Theory of Liquids 5 3 Density Functional Theory of Nucleation 6 EXTENDED MODIFIED LIQUID DROP MODEL AND DYNAMIC NUCLEATION THEORY 6 1 Modified Liquid Drop Model 6 2 Dynamic Nucleation Theory and Definition of the Cluster Volume 6 3 Nucleation Barrier 7 MEAN-FIELD KINETIC NUCLEATION THEORY 7 1 Semi-Phenomenological Approach to Nucleation 7 2 Kinetics 7 3 Statistical Thermodynamics of Clusters 7 4 Configuration Integral of a Cluster: Mean-Field Approximation 7 5 Structure of a Cluster: Core and Surface Particles 7 6 Coordination Number in the Liquid Phase 7 7 Steady State Nucleation Rate 7 8 Comparison with Experiment 7 9 Discussion 8 COMPUTER SIMULATION OF NUCLEATION 8 1 Introduction 8 2 Molecular Dynamics Simulation 8 3 Molecular Monte Carlo Simulation 8 4 Cluster Definitions and Detection Methods 8 5 Evaluation of the Nucleation Rate 8 6 Comparison of Simulation with Experiment 8 7 Simulation of Binary Nucleation 8 8 Simulation of Heterogeneous Nucleation 8 9 Nucleation Simulation with the Ising Model 9 NUCLEATION AT HIGH SUPERSATURATIONS 9 1 Introduction 9 2 Mean-Field Theory 9 3 Role of Fluctuations 9 4 Generalized Kelvin Equation and Pseudospinodal 10 ARGON NUCLEATION 10 1 Temperature-Supersaturation Domain: Experiments, Simulations and Density Functional Theory 10 2 Simulations and DFT Versus Theory 10 3 Experiment Versus Theory 11 BINARY NUCLEATION: CLASSICAL THEORY 11 1 Introduction 11 2 Kinetics 11 3 ‘‘Direction of Principal Growth’’ Approximation 11 4 Energetics of Binary Cluster Formation 11 5 Kelvin Equations for the Mixture 11 6 K-Surface 11 7 Gibbs Free Energy of Cluster Formation Within K-Surface Formalism 11 8 Normalization Factor of the Equilibrium Cluster Distribution Function 11 9 Illustrative Results 12 BINARY NUCLEATION: DENSITY FUNCTIONAL THEORY 12 1 DFT Formalism for Binary Systems General Considerations 12 2 Non-ideal Mixtures and Surface Enrichment 12 3 Nucleation Barrier and Activity Plots: DFT Versus BCNT 13 COARSE-GRAINED THEORY OF BINARY NUCLEATION 13 1 Introduction 13 2 Katz Kinetic Approach: Extension to Binary Mixtures 13 3 Binary Cluster Statistics 13 4 Configuration Integral of a Cluster: A Coarse-Grained Description 13 5 Equilibrium Distribution of Binary Clusters 13 6 Steady State Nucleation Rate 13 7 Results: Nonane/Methane Nucleation 14 MULTI-COMPONENT NUCLEATION 14 1 Energetics of N-Component Cluster Formation 14 2 Kinetics 14 3 Example: Binary Nucleation 14 4 Concluding Remarks 15 HETEROGENEOUS NUCLEATION 15 1 Introduction 15 2 Energetics of Embryo Formation 15 3 Flat Geometry 15 4 Critical Embryo: The Fletcher Factor 15 5 Kinetic Prefactor 15 6 Line Tension Effect 15 7 Nucleation Probability 16 EXPERIMENTAL METHODS 16 1 Thermal Diffusion Cloud Chamber 16 2 Expansion Cloud Chamber 16 3 Shock Tube 16 4 Supersonic Nozzle