Search results for: Michel Soustelle

Items from 1 to 20 out of 36 results

article

Surface nucleation and anisotropic growth models for solid-state reactions

Loïc Favergeon, Michèle Pijolat, Michel Soustelle

Thermochimica Acta > 2017 > 654 > C > 18-27

Nucleation-growth models for the kinetic analysis of gas–solid reactions in which nucleation proceeds at the surface of the particles are reported. The growth of the nuclei is assumed to be anisotropic, i.e. with a very fast surface rate compared to the bulk one. The nucleation and growth processes are assumed to occur with, respectively, an areic frequency γ (nb. nuclei m⁻²s⁻¹) and an areic reactivity...

chapter

Molecular Chemical Equilibria

Michel Soustelle

Chemical Equilibria > 55 - 104

This chapter applies the general principles of transformations at equilibrium to the case of chemical reactions. It introduces the law of mass action, equilibrium constant, its different forms and its properties. A certain number of graphical representations are used to visualize the results of a chemical equilibrium. Some of these graphs superpose several equilibria, and others also add the results...

chapter

Physico‐Chemical Transformations and Equilibria

Michel Soustelle

Chemical Equilibria > 1 - 24

A component is characterized by its chemical nature and by the phase to which it belongs. One can distinguish two types of physico‐chemical transformations: physical transformations and chemical transformations or reactions. This chapter introduces a new value, the affinity, pertaining to any transformation. The variables for this affinity are the thermodynamic variables, the quantities of material...

chapter

Properties of States of Physico‐Chemical Equilibrium

Michel Soustelle

Chemical Equilibria > 25 - 53

Having set out the conditions of equilibrium of a transformation, this chapter examines certain properties of those states of physico‐chemical equilibrium. To illustrate the displacement of equilibrium by adding a certain amount of a component, consider a perfect solution, which illustrates the diversity of the results obtained. Phase laws are used to determine the number of independent variables...

chapter

Determination of the Values Associated with Reactions – Equilibrium Calculations

Michel Soustelle

Chemical Equilibria > 105 - 150

This chapter determines the value of the equilibrium constant of molecular reactions. It examines the use of those values to calculate complex equilibria, enabling one to define domains of stability of the phases and the compounds, domains of predominance of components, and to serve the ultimate goal of a transformation within the system. The chapter establishes a certain number of thermodynamic relations...

book

Chemical Equilibria

Michel Soustelle, John Wiley & Sons, Inc.

chapter

Pure Crystalline Solids

Michel Soustelle

Thermodynamic Modeling of Solid Phases > 1 - 69

Crystalline solids are characterized by the regular and periodic spatial arrangement of entities at the nodes of a lattice. There are four distinct classes to the nature of the solid: atomic solids such as solid argon, molecular solids, ionic crystals, and metals in which ions are arranged at the nodes of the lattice. To ensure electrical neutrality, more‐or‐less mobile electrons are distributed around...

chapter

Solid Solutions

Michel Soustelle

Thermodynamic Modeling of Solid Phases > 71 - 146

A mixture of two solids A and B may appear in two forms: a solid solution – i.e. a single‐phase solid with two components A and B; – a mixture of two phases. This chapter discusses families of solid solutions; order in solid solutions; thermodynamic models of solid solutions; and thermodynamic study of the degree of order of an alloy. It examines the methods for determining the activities, or the...

book

Thermodynamic Modeling of Solid Phases

Michel Soustelle, John Wiley & Sons, Inc.

This book offers advanced students, in 7 volumes, successively characterization tools phases, the study of all types of phase, liquid, gas and solid, pure or multi-component, process engineering, chemical and electrochemical equilibria, the properties of surfaces and phases of small sizes. Macroscopic and microscopic models are in turn covered with a constant correlation between the two scales. Particular...

chapter

Non‐Stoichiometry in Solids

Michel Soustelle

Thermodynamic Modeling of Solid Phases > 147 - 193

The concept of a structure element is crucial in studying the thermodynamics of non‐stoichiometry in solids. This chapter discusses the structure elements of a solid; quasi‐chemical reactions in solids; equilibrium states between structure elements in solids; and thermodynamics of structure elements in unary solids. A solid is said to be binary if it contains at least two structure elements occupied...

chapter

Solid Solutions and Structure Elements

Michel Soustelle

Thermodynamic Modeling of Solid Phases > 195 - 215

The modeling of solid solutions, when the solvent and the solute exhibit major behavioral differences, is not easy. This chapter examines two cases where that modeling enables us to correctly represent the behavior of the poly‐constituent solid phase. It looks at the study of ionic solid solutions and the fixation of water molecules in the lattices of salts. Ionic solids exhibit crystalline sites...

chapter

Multi‐Compound Phases – Solutions

Michel Soustelle

Phase Modeling Tools > 51 - 86

The involvement of several components in a multi‐compound phase consequently introduces new couples of intensive and extensive variables: chemical potentials and amounts of matter, and then the involvement of new variables: compositions, partial molar variables, chemical potentials and mixing variables. The concept of an ideal solution forms the basis of the macroscopic modeling of all solutions....

chapter

Thermodynamic Functions and Variables

Michel Soustelle

Phase Modeling Tools > 1 - 14

In thermodynamics, each state of a system is characterized by the value given by a certain characteristic function, which depends on a certain number of variables: the state variables. The concept of partial molar parameter stems from phases with several components. The partial molar parameter of a component presents itself as the contribution of one mole of this compound to the value of the corresponding...

chapter

Macroscopic Modeling of Liquid Molecular Solutions

Michel Soustelle

Modeling of Liquid Phases > 37 - 59

This chapter discusses the case of liquid molecular solutions. In such solutions, usually, the pressure is no longer a variable of the system. It distinguishes between macroscopic representations and simulations using a microscopic model. We often work with binary solutions, which are obviously simpler, but significant efforts are being invested in modeling solutions with more than two components,...

chapter

Pure Liquids

Michel Soustelle

Modeling of Liquid Phases > 1 - 36

This chapter discusses atomic and molecular liquids. On a structural level, liquids are classified into two categories: associated liquids and non‐associated liquids. The study of liquids is more difficult than that of gases and solids because they are in an intermediary state, structurally speaking. This chapter talks about models extrapolated from gases or solids; the Lennard‐Jones and Devonshire...

chapter

Ionic Solutions

Michel Soustelle

Modeling of Liquid Phases > 117 - 157

Ionic solutions are set apart from molecular solutions by the intervention of Coulombian forces between electrical charges. Numerous models of ionic solutions have been put forward in the existing body of literature. The most important of these models, which is actually found to be included in all the others, is Debye and Huckel's, which attributes the imperfection solely to the electrostatic forces...

book

Modeling of Liquid Phases

Michel Soustelle, John Wiley & Sons, Inc.

This book is part of a set of books which offers advanced students successive characterization tool phases, the study of all types of phase (liquid, gas and solid, pure or multi-component), process engineering, chemical and electrochemical equilibria, and the properties of surfaces and phases of small sizes. Macroscopic and microscopic models are in turn covered with a constant correlation between...

chapter

Macroscopic Modeling of a Phase

Michel Soustelle

Phase Modeling Tools > 15 - 49

To describe the thermodynamic properties of a phase either a characteristic function or the terms of a characteristic matrix must be known, or a certain number of carefully chosen thermodynamic coefficients. There is no table or ensemble of data that directly provide us with the thermodynamic coefficients. These must be deduced from other data. This chapter focuses on some data from tables which allow...

chapter

Canonical Ensembles and Thermodynamic Functions

Michel Soustelle

Phase Modeling Tools > 113 - 129

Canonical ensembles are particularly well‐adapted to the microscopic description of solid or fluid phases. An ensemble is chosen according to the set of independent variables selected, i.e. volume, temperature and amount of matter of the canonical ensemble. Quantum mechanics helps determine the energies of molecules and the molecular partition functions can be calculated from the characteristics of...

chapter

Molecular Partition Functions

Michel Soustelle

Phase Modeling Tools > 131 - 167

The molecular partition function for a system includes terms that relate to different forms of energy: nuclear, electronic, vibrational energy of molecules, their rotational energy, their translational energy and interaction energies between different molecules. Normally, calculating partition functions requires the use of energy levels compatible with, on the one hand, results of quantum mechanics,...

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INFONA - science communication portal

Search results for: Michel Soustelle

Surface nucleation and anisotropic growth models for solid-state reactions

Molecular Chemical Equilibria

Physico‐Chemical Transformations and Equilibria

Properties of States of Physico‐Chemical Equilibrium

Determination of the Values Associated with Reactions – Equilibrium Calculations

Chemical Equilibria

Pure Crystalline Solids

Solid Solutions

Thermodynamic Modeling of Solid Phases

Non‐Stoichiometry in Solids

Solid Solutions and Structure Elements

Multi‐Compound Phases – Solutions

Thermodynamic Functions and Variables

Macroscopic Modeling of Liquid Molecular Solutions

Pure Liquids

Ionic Solutions

Modeling of Liquid Phases

Macroscopic Modeling of a Phase

Canonical Ensembles and Thermodynamic Functions

Molecular Partition Functions

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