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010			_a9789048136421 _bbr.
010			_a90-481-3642-3 _bbr.
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181			_6z01 _ctxt _2rdacontent
181		1	_6z01 _ai# _bxxxe##
182			_6z01 _cn _2rdamedia
182		1	_6z01 _an
183		1	_6z01 _anga _2RDAfrCarrier
200	1		_aNucleation theory _fV.I. Kalikmanov
210			_aDordrecht _aLondon _aNew York [etc.] _cSpringer _dcop. 2013
215			_a1 vol. (xv-316 p.) _cill. _d23 cm
225	2		_aLecture notes in physics _v860
300			_aSommaire et résumé disponibles sur le site de l'éditeur [consulté le 2013-03-11] _uhttp://www.springer.com/materials/book/978-90-481-3642-1 _2lien
320			_aNotes bibliogr. Index
330			_aLa 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."
359	2		_b1 INTRODUCTION _b2 SOME THERMODYNAMIC ASPECTS OF TWO-PHASE SYSTEMS _b2 1 Bulk Equilibrium Properties _b2 2 Thermodynamics of the Interface _b3 CLASSICAL NUCLEATION THEORY _b3 1 Metastable States _b3 2 Thermodynamics _b3 3 Kinetics and Steady-State Nucleation Rate _b3 4 Kelvin Equation _b3 5 Katz Kinetic Approach _b3 6 Consistency of Equilibrium Distributions _b3 7 Zeldovich Theory _b3 8 Transient Nucleation _b3 9 Phenomenological Modifications of Classical Theory _b4 NUCLEATION THEOREMS _b4 1 Introduction _b4 2 First Nucleation Theorem for Multi-Component Systems _b4 3 Second Nucleation Theorem _b4 4 Nucleation Theorems from Hill’s Thermodynamics of Small Systems _b5 DENSITY FUNCTIONAL THEORY _b5 1 Nonclassical View on Nucleation _b5 2 Fundamentals of the Density Functional Approach in the Theory of Liquids _b5 3 Density Functional Theory of Nucleation _b6 EXTENDED MODIFIED LIQUID DROP MODEL AND DYNAMIC NUCLEATION THEORY _b6 1 Modified Liquid Drop Model _b6 2 Dynamic Nucleation Theory and Definition of the Cluster Volume _b6 3 Nucleation Barrier _b7 MEAN-FIELD KINETIC NUCLEATION THEORY _b7 1 Semi-Phenomenological Approach to Nucleation _b7 2 Kinetics _b7 3 Statistical Thermodynamics of Clusters _b7 4 Configuration Integral of a Cluster: Mean-Field Approximation _b7 5 Structure of a Cluster: Core and Surface Particles _b7 6 Coordination Number in the Liquid Phase _b7 7 Steady State Nucleation Rate _b7 8 Comparison with Experiment _b7 9 Discussion _b8 COMPUTER SIMULATION OF NUCLEATION _b8 1 Introduction _b8 2 Molecular Dynamics Simulation _b8 3 Molecular Monte Carlo Simulation _b8 4 Cluster Definitions and Detection Methods _b8 5 Evaluation of the Nucleation Rate _b8 6 Comparison of Simulation with Experiment _b8 7 Simulation of Binary Nucleation _b8 8 Simulation of Heterogeneous Nucleation _b8 9 Nucleation Simulation with the Ising Model _b9 NUCLEATION AT HIGH SUPERSATURATIONS _b9 1 Introduction _b9 2 Mean-Field Theory _b9 3 Role of Fluctuations _b9 4 Generalized Kelvin Equation and Pseudospinodal _b10 ARGON NUCLEATION _b10 1 Temperature-Supersaturation Domain: Experiments, Simulations and Density Functional Theory _b10 2 Simulations and DFT Versus Theory _b10 3 Experiment Versus Theory _b11 BINARY NUCLEATION: CLASSICAL THEORY _b11 1 Introduction _b11 2 Kinetics _b11 3 ‘‘Direction of Principal Growth’’ Approximation _b11 4 Energetics of Binary Cluster Formation _b11 5 Kelvin Equations for the Mixture _b11 6 K-Surface _b11 7 Gibbs Free Energy of Cluster Formation Within K-Surface Formalism _b11 8 Normalization Factor of the Equilibrium Cluster Distribution Function _b11 9 Illustrative Results _b12 BINARY NUCLEATION: DENSITY FUNCTIONAL THEORY _b12 1 DFT Formalism for Binary Systems General Considerations _b12 2 Non-ideal Mixtures and Surface Enrichment _b12 3 Nucleation Barrier and Activity Plots: DFT Versus BCNT _b13 COARSE-GRAINED THEORY OF BINARY NUCLEATION _b13 1 Introduction _b13 2 Katz Kinetic Approach: Extension to Binary Mixtures _b13 3 Binary Cluster Statistics _b13 4 Configuration Integral of a Cluster: A Coarse-Grained Description _b13 5 Equilibrium Distribution of Binary Clusters _b13 6 Steady State Nucleation Rate _b13 7 Results: Nonane/Methane Nucleation _b14 MULTI-COMPONENT NUCLEATION _b14 1 Energetics of N-Component Cluster Formation _b14 2 Kinetics _b14 3 Example: Binary Nucleation _b14 4 Concluding Remarks _b15 HETEROGENEOUS NUCLEATION _b15 1 Introduction _b15 2 Energetics of Embryo Formation _b15 3 Flat Geometry _b15 4 Critical Embryo: The Fletcher Factor _b15 5 Kinetic Prefactor _b15 6 Line Tension Effect _b15 7 Nucleation Probability _b16 EXPERIMENTAL METHODS _b16 1 Thermal Diffusion Cloud Chamber _b16 2 Expansion Cloud Chamber _b16 3 Shock Tube _b16 4 Supersonic Nozzle
410			_0013305018 _tLecture notes in physics _x0075-8450 _v860
452			_0168334984 _tNucleation theory _fby V. I. Kalikmanov. _e1st ed. 2013. _sLecture Notes in Physics
606			_aNucleation _2lc
606			_3031349080 _aNucléation _2rameau
606			_303142628X _aThéorie de la fonctionnelle de densité _2rameau
676			_a548.5 _v22
676			_a530.4
680			_aQD548 _b.K25 2013
680			_aQD453.3 _b.K35 2013
700		1	_3111337232 _aKalikmanov _bVitaly I. _4070