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Molecular modeling of corrosion processes : scientific development and engineering applications / / edited by Christopher D. Taylor, Philippe Marcus
| Molecular modeling of corrosion processes : scientific development and engineering applications / / edited by Christopher D. Taylor, Philippe Marcus |
| Pubbl/distr/stampa | Hoboken, New Jersey : , : John Wiley & Sons, Inc., , [2015] |
| Descrizione fisica | 1 online resource (273 p.) |
| Disciplina | 620.1/1223 |
| Collana | The ECS Series of Texts and Monographs |
| Soggetto topico |
Corrosion and anti-corrosives
Corrosion and anti-corrosives - Mathematical models |
| ISBN | 1-119-05766-3 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Title Page; Copyright Page; Contents; List of Contributors; Foreword; Preface; Chapter 1 An Introduction to Corrosion Mechanisms and Models; 1.1 INTRODUCTION; 1.2 MECHANISMS IN CORROSION SCIENCE; 1.2.1 Thermodynamics and Pourbaix Diagrams; 1.2.2 Electrode Kinetics; 1.2.3 Metal Dissolution; 1.2.4 Hydrogen Evolution and Oxygen Reduction; 1.2.5 The Mixed Potential Model for Corrosion; 1.2.6 Selective Dissolution of Alloys; 1.2.7 Passivity of Metals and Alloys; 1.2.8 Inhibition of Corrosion; 1.2.9 Environmentally Assisted Cracking and Embrittlement; 1.2.10 Crystallographic Pitting
1.2.11 Summary of Corrosion Mechanisms1.3 MOLECULAR MODELING; 1.3.1 Electronic Structure Methods; 1.3.2 Interatomic Potentials (Force Fields); 1.3.3 Energy Minimization; 1.3.4 Transition State Theory; 1.3.5 Molecular Dynamics; 1.3.6 Monte Carlo Simulation; 1.4 BRIDGING THE REALITY GAP; 1.4.1 First-Principles Thermodynamics; 1.4.2 Solvation Models; 1.4.3 Control of Electrode Potential and the Presence of Electric Fields; 1.4.4 Materials Defects and Inhomogeneities; 1.5 MOLECULAR MODELING AND CORROSION; REFERENCES Chapter 2 Molecular Modeling of Structure and Reactivity at theMetal/Environment Interface2.1 INTRODUCTION; 2.2 STRUCTURE AND REACTIVITY OF WATER OVER METAL SURFACES; 2.3 MOLECULAR MODELING OF CHEMISORBED PHASES UNDER COMPETING ADSORPTION CONDITIONS; 2.4 COADSORPTION OF IONS AT THE INTERFACE AND PROMOTION OF HYDROGEN UPTAKE; 2.5 DISSOLUTION OF METAL ATOMS; 2.6 SUMMARY AND PERSPECTIVES; REFERENCES; Chapter 3 3 Processes at Metal-Solution Interfaces: Modelingand Simulation; 3.1 INTRODUCTION; 3.2 SURFACE MOBILITY; 3.3 KMC: DETAILS IN THE MODEL AND SIMULATION TECHNIQUE; 3.3.1 The Model 3.3.2 Energy Calculations for Silver3.3.3 Dipole Moments; 3.3.4 Effect of the Electric Field on the Diffusion Rates; 3.3.5 Energy Calculations for Gold; 3.4 ISLAND DYNAMICS ON CHARGED SILVER ELECTRODES; 3.4.1 Mesoscopic Theory of Step Fluctuations; 3.4.2 Step Fluctuations; 3.4.3 Analysis of the Minimum Curvature of Island Shapes; 3.4.4 Simulations of Islands; 3.5 OSTWALD RIPENING; 3.5.1 Ag/Ag(100): Field and Temperature Effect; 3.6 THE EFFECT OF ADSORBED Cl ATOMS ON THE MOBILITY OF ADATOMS ON Au(100); 3.7 SOME CONCLUSIONS ON SURFACE MOBILITY 3.8 THEORY OF ELECTROCHEMICAL CHARGE TRANSFER REACTION3.8.1 A Model Hamiltonian for Electron and Ion Transfer Reactions at Metal Electrodes; 3.8.2 Principles of Electrocatalysis; 3.8.3 Hydrogen Electrocatalysis; 3.8.4 Heyrovsky Reaction; 3.8.5 Hydrogen at Nanostructured Electrodes; 3.8.6 Comparison With Experimental Data; 3.9 CONCLUSIONS AND OUTLOOK; ACKNOWLEDGMENTS; REFERENCES; Chapter 4 Atomistic Monte-Carlo Simulations of Dissolution; 4.1 INTRODUCTION; 4.1.1 Dissolution and Dealloying; 4.1.2 A First Description of Dissolution 4.1.3 Evolution of Dissolution and Selective Dissolution Mechanisms |
| Record Nr. | UNINA-9910140650503321 |
| Hoboken, New Jersey : , : John Wiley & Sons, Inc., , [2015] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Molecular modeling of corrosion processes : scientific development and engineering applications / / edited by Christopher D. Taylor, Philippe Marcus
| Molecular modeling of corrosion processes : scientific development and engineering applications / / edited by Christopher D. Taylor, Philippe Marcus |
| Pubbl/distr/stampa | Hoboken, New Jersey : , : John Wiley & Sons, Inc., , [2015] |
| Descrizione fisica | 1 online resource (273 p.) |
| Disciplina | 620.1/1223 |
| Collana | The ECS Series of Texts and Monographs |
| Soggetto topico |
Corrosion and anti-corrosives
Corrosion and anti-corrosives - Mathematical models |
| ISBN | 1-119-05766-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Title Page; Copyright Page; Contents; List of Contributors; Foreword; Preface; Chapter 1 An Introduction to Corrosion Mechanisms and Models; 1.1 INTRODUCTION; 1.2 MECHANISMS IN CORROSION SCIENCE; 1.2.1 Thermodynamics and Pourbaix Diagrams; 1.2.2 Electrode Kinetics; 1.2.3 Metal Dissolution; 1.2.4 Hydrogen Evolution and Oxygen Reduction; 1.2.5 The Mixed Potential Model for Corrosion; 1.2.6 Selective Dissolution of Alloys; 1.2.7 Passivity of Metals and Alloys; 1.2.8 Inhibition of Corrosion; 1.2.9 Environmentally Assisted Cracking and Embrittlement; 1.2.10 Crystallographic Pitting
1.2.11 Summary of Corrosion Mechanisms1.3 MOLECULAR MODELING; 1.3.1 Electronic Structure Methods; 1.3.2 Interatomic Potentials (Force Fields); 1.3.3 Energy Minimization; 1.3.4 Transition State Theory; 1.3.5 Molecular Dynamics; 1.3.6 Monte Carlo Simulation; 1.4 BRIDGING THE REALITY GAP; 1.4.1 First-Principles Thermodynamics; 1.4.2 Solvation Models; 1.4.3 Control of Electrode Potential and the Presence of Electric Fields; 1.4.4 Materials Defects and Inhomogeneities; 1.5 MOLECULAR MODELING AND CORROSION; REFERENCES Chapter 2 Molecular Modeling of Structure and Reactivity at theMetal/Environment Interface2.1 INTRODUCTION; 2.2 STRUCTURE AND REACTIVITY OF WATER OVER METAL SURFACES; 2.3 MOLECULAR MODELING OF CHEMISORBED PHASES UNDER COMPETING ADSORPTION CONDITIONS; 2.4 COADSORPTION OF IONS AT THE INTERFACE AND PROMOTION OF HYDROGEN UPTAKE; 2.5 DISSOLUTION OF METAL ATOMS; 2.6 SUMMARY AND PERSPECTIVES; REFERENCES; Chapter 3 3 Processes at Metal-Solution Interfaces: Modelingand Simulation; 3.1 INTRODUCTION; 3.2 SURFACE MOBILITY; 3.3 KMC: DETAILS IN THE MODEL AND SIMULATION TECHNIQUE; 3.3.1 The Model 3.3.2 Energy Calculations for Silver3.3.3 Dipole Moments; 3.3.4 Effect of the Electric Field on the Diffusion Rates; 3.3.5 Energy Calculations for Gold; 3.4 ISLAND DYNAMICS ON CHARGED SILVER ELECTRODES; 3.4.1 Mesoscopic Theory of Step Fluctuations; 3.4.2 Step Fluctuations; 3.4.3 Analysis of the Minimum Curvature of Island Shapes; 3.4.4 Simulations of Islands; 3.5 OSTWALD RIPENING; 3.5.1 Ag/Ag(100): Field and Temperature Effect; 3.6 THE EFFECT OF ADSORBED Cl ATOMS ON THE MOBILITY OF ADATOMS ON Au(100); 3.7 SOME CONCLUSIONS ON SURFACE MOBILITY 3.8 THEORY OF ELECTROCHEMICAL CHARGE TRANSFER REACTION3.8.1 A Model Hamiltonian for Electron and Ion Transfer Reactions at Metal Electrodes; 3.8.2 Principles of Electrocatalysis; 3.8.3 Hydrogen Electrocatalysis; 3.8.4 Heyrovsky Reaction; 3.8.5 Hydrogen at Nanostructured Electrodes; 3.8.6 Comparison With Experimental Data; 3.9 CONCLUSIONS AND OUTLOOK; ACKNOWLEDGMENTS; REFERENCES; Chapter 4 Atomistic Monte-Carlo Simulations of Dissolution; 4.1 INTRODUCTION; 4.1.1 Dissolution and Dealloying; 4.1.2 A First Description of Dissolution 4.1.3 Evolution of Dissolution and Selective Dissolution Mechanisms |
| Record Nr. | UNINA-9910814014403321 |
| Hoboken, New Jersey : , : John Wiley & Sons, Inc., , [2015] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Passivation of metals and semiconductors, and properties of thin oxide layers [[electronic resource] ] : a selection of papers from the 9th International Symposium, Paris, France, 27 June-1 July 2005 / / edited by Philippe Marcus, Vincent Maurice
| Passivation of metals and semiconductors, and properties of thin oxide layers [[electronic resource] ] : a selection of papers from the 9th International Symposium, Paris, France, 27 June-1 July 2005 / / edited by Philippe Marcus, Vincent Maurice |
| Pubbl/distr/stampa | Amsterdam ; ; Oxford, : Elsevier, 2006 |
| Descrizione fisica | 1 online resource (765 p.) |
| Disciplina | 620.11223 |
| Altri autori (Persone) |
MarcusP <1953-> (Philippe)
MauriceVincent |
| Soggetto topico |
Passivity (Chemistry)
Electrochemistry Metals Semiconductors Corrosion and anti-corrosives Oxide coating |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-280-64189-4
9786610641895 0-08-046152-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front cover; Title page; Copyright; Front matter; Preface; Table of contents; An in situ AFM study of the first steps of localised corrosion on a stressed 304L stainless steel in chloride media; Body; Section A Growth, (Nano)structure and Composition of Passive Films; Electrochemical Properties of Fe-Cr-Mo Alloys and Fe2O3-Cr2O3-MoO2 Artificial Passivation Films in 1 M HCl; Formation and growth processes of electrochemical passive layers (borate medium: pH 9.2) and electron stimulated oxidized films
Development and Composition of the High Temperature Oxide Film Grown on Fe-15Cr during AnnealingPassivity of Nickel-Containing Stainless Steels in Concentrated Sulphuric Acid; An insight on the role of Nickel in the passive films generated on different stainless steels; Passivity of Nitrogen-Bearing Stainless Steel in Acidic Solution; Passive behaviour of stainless steels and nickel in LiBr solution at different temperatures; The effect of the Cerium ion implantation in the passive films properties of a duplex stainless steel Use of Alloy 22 as Long-Term Radioactive Waste Containment MaterialEffect of temperature and melt composition on the passivity of a Ni-10%Cr alloy in a molten electrolyte; Spontaneous Passivation of Amorphous Bulk Ni-Cr-Mo-Ta-Nb-P Alloys in Concentrated HCl; Passivity of Fe90V10 and Fe75Cr15V10 in Alkaline Media A. Drexler and H.-H. Strehblow; Effect of anodic passivation on the corrosion behaviour of Fe-Mn-Al steels in 3.5% NaCl; Surface Characterization of 1018 Carbon Steel in Borate Medium by in-situ Electrochemical Scanning Tunneling Microscopy Iron passivation studied by in situ Raman spectroscopy on Fe/Au(111) epitaxial filmsAtomic-Structure Characterization of Passive Film of Fe by Grazing Incidence X-ray Scattering at SPring-8; Electrochemical aspects of the behavior of perchlorate ions in the presence of iron group metals; The effect of Al supremum 3+ in the passivity of iron in alkaline media containing chlorides; Nanoscale modifications of a Ni(111) surface during nucleation and growth of the passive film; Simultaneous Anodic Dissolution and Passivation of Nickel in Moderate Acid Medium Copper Passivity in Carbonate Base Solutions and its Application in Chemical Mechanical Planarization (CMP)Analysis of Cu corrosion product in aqueous lithium bromide concentrated solutions; Passivity of Tin and CuSn Alloys in Alkaline Media studied by X-ray Photoelectron Spectroscopy; Surface Analytical Characterization of Chromium Passivation on Tinplate; To Passivate or not to Passivate, that is the Question: The Case of Barium Tin(II) Chloride Fluorides; A Thin Passivating Tin(IV) Oxide Layer on Tin(II)-Containing Fluoride Particles, or not? The M1-xSnxF2 Solid Solutions Electrochemical Data About Disruption of Passivating Films. The Pb/PbSO4/H2SO4 System |
| Record Nr. | UNINA-9910457242703321 |
| Amsterdam ; ; Oxford, : Elsevier, 2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Passivation of metals and semiconductors, and properties of thin oxide layers [[electronic resource] ] : a selection of papers from the 9th International Symposium, Paris, France, 27 June-1 July 2005 / / edited by Philippe Marcus, Vincent Maurice
| Passivation of metals and semiconductors, and properties of thin oxide layers [[electronic resource] ] : a selection of papers from the 9th International Symposium, Paris, France, 27 June-1 July 2005 / / edited by Philippe Marcus, Vincent Maurice |
| Pubbl/distr/stampa | Amsterdam ; ; Oxford, : Elsevier, 2006 |
| Descrizione fisica | 1 online resource (765 p.) |
| Disciplina | 620.11223 |
| Altri autori (Persone) |
MarcusP <1953-> (Philippe)
MauriceVincent |
| Soggetto topico |
Passivity (Chemistry)
Electrochemistry Metals Semiconductors Corrosion and anti-corrosives Oxide coating |
| ISBN |
1-280-64189-4
9786610641895 0-08-046152-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front cover; Title page; Copyright; Front matter; Preface; Table of contents; An in situ AFM study of the first steps of localised corrosion on a stressed 304L stainless steel in chloride media; Body; Section A Growth, (Nano)structure and Composition of Passive Films; Electrochemical Properties of Fe-Cr-Mo Alloys and Fe2O3-Cr2O3-MoO2 Artificial Passivation Films in 1 M HCl; Formation and growth processes of electrochemical passive layers (borate medium: pH 9.2) and electron stimulated oxidized films
Development and Composition of the High Temperature Oxide Film Grown on Fe-15Cr during AnnealingPassivity of Nickel-Containing Stainless Steels in Concentrated Sulphuric Acid; An insight on the role of Nickel in the passive films generated on different stainless steels; Passivity of Nitrogen-Bearing Stainless Steel in Acidic Solution; Passive behaviour of stainless steels and nickel in LiBr solution at different temperatures; The effect of the Cerium ion implantation in the passive films properties of a duplex stainless steel Use of Alloy 22 as Long-Term Radioactive Waste Containment MaterialEffect of temperature and melt composition on the passivity of a Ni-10%Cr alloy in a molten electrolyte; Spontaneous Passivation of Amorphous Bulk Ni-Cr-Mo-Ta-Nb-P Alloys in Concentrated HCl; Passivity of Fe90V10 and Fe75Cr15V10 in Alkaline Media A. Drexler and H.-H. Strehblow; Effect of anodic passivation on the corrosion behaviour of Fe-Mn-Al steels in 3.5% NaCl; Surface Characterization of 1018 Carbon Steel in Borate Medium by in-situ Electrochemical Scanning Tunneling Microscopy Iron passivation studied by in situ Raman spectroscopy on Fe/Au(111) epitaxial filmsAtomic-Structure Characterization of Passive Film of Fe by Grazing Incidence X-ray Scattering at SPring-8; Electrochemical aspects of the behavior of perchlorate ions in the presence of iron group metals; The effect of Al supremum 3+ in the passivity of iron in alkaline media containing chlorides; Nanoscale modifications of a Ni(111) surface during nucleation and growth of the passive film; Simultaneous Anodic Dissolution and Passivation of Nickel in Moderate Acid Medium Copper Passivity in Carbonate Base Solutions and its Application in Chemical Mechanical Planarization (CMP)Analysis of Cu corrosion product in aqueous lithium bromide concentrated solutions; Passivity of Tin and CuSn Alloys in Alkaline Media studied by X-ray Photoelectron Spectroscopy; Surface Analytical Characterization of Chromium Passivation on Tinplate; To Passivate or not to Passivate, that is the Question: The Case of Barium Tin(II) Chloride Fluorides; A Thin Passivating Tin(IV) Oxide Layer on Tin(II)-Containing Fluoride Particles, or not? The M1-xSnxF2 Solid Solutions Electrochemical Data About Disruption of Passivating Films. The Pb/PbSO4/H2SO4 System |
| Record Nr. | UNINA-9910784599203321 |
| Amsterdam ; ; Oxford, : Elsevier, 2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Passivation of metals and semiconductors, and properties of thin oxide layers : a selection of papers from the 9th International Symposium, Paris, France, 27 June-1 July 2005 / / edited by Philippe Marcus, Vincent Maurice
| Passivation of metals and semiconductors, and properties of thin oxide layers : a selection of papers from the 9th International Symposium, Paris, France, 27 June-1 July 2005 / / edited by Philippe Marcus, Vincent Maurice |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Amsterdam ; ; Oxford, : Elsevier, 2006 |
| Descrizione fisica | 1 online resource (765 p.) |
| Disciplina | 620.11223 |
| Altri autori (Persone) |
MarcusP <1953-> (Philippe)
MauriceVincent |
| Soggetto topico |
Passivity (Chemistry)
Electrochemistry Metals Semiconductors Corrosion and anti-corrosives Oxide coating |
| ISBN |
1-280-64189-4
9786610641895 0-08-046152-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front cover; Title page; Copyright; Front matter; Preface; Table of contents; An in situ AFM study of the first steps of localised corrosion on a stressed 304L stainless steel in chloride media; Body; Section A Growth, (Nano)structure and Composition of Passive Films; Electrochemical Properties of Fe-Cr-Mo Alloys and Fe2O3-Cr2O3-MoO2 Artificial Passivation Films in 1 M HCl; Formation and growth processes of electrochemical passive layers (borate medium: pH 9.2) and electron stimulated oxidized films
Development and Composition of the High Temperature Oxide Film Grown on Fe-15Cr during AnnealingPassivity of Nickel-Containing Stainless Steels in Concentrated Sulphuric Acid; An insight on the role of Nickel in the passive films generated on different stainless steels; Passivity of Nitrogen-Bearing Stainless Steel in Acidic Solution; Passive behaviour of stainless steels and nickel in LiBr solution at different temperatures; The effect of the Cerium ion implantation in the passive films properties of a duplex stainless steel Use of Alloy 22 as Long-Term Radioactive Waste Containment MaterialEffect of temperature and melt composition on the passivity of a Ni-10%Cr alloy in a molten electrolyte; Spontaneous Passivation of Amorphous Bulk Ni-Cr-Mo-Ta-Nb-P Alloys in Concentrated HCl; Passivity of Fe90V10 and Fe75Cr15V10 in Alkaline Media A. Drexler and H.-H. Strehblow; Effect of anodic passivation on the corrosion behaviour of Fe-Mn-Al steels in 3.5% NaCl; Surface Characterization of 1018 Carbon Steel in Borate Medium by in-situ Electrochemical Scanning Tunneling Microscopy Iron passivation studied by in situ Raman spectroscopy on Fe/Au(111) epitaxial filmsAtomic-Structure Characterization of Passive Film of Fe by Grazing Incidence X-ray Scattering at SPring-8; Electrochemical aspects of the behavior of perchlorate ions in the presence of iron group metals; The effect of Al supremum 3+ in the passivity of iron in alkaline media containing chlorides; Nanoscale modifications of a Ni(111) surface during nucleation and growth of the passive film; Simultaneous Anodic Dissolution and Passivation of Nickel in Moderate Acid Medium Copper Passivity in Carbonate Base Solutions and its Application in Chemical Mechanical Planarization (CMP)Analysis of Cu corrosion product in aqueous lithium bromide concentrated solutions; Passivity of Tin and CuSn Alloys in Alkaline Media studied by X-ray Photoelectron Spectroscopy; Surface Analytical Characterization of Chromium Passivation on Tinplate; To Passivate or not to Passivate, that is the Question: The Case of Barium Tin(II) Chloride Fluorides; A Thin Passivating Tin(IV) Oxide Layer on Tin(II)-Containing Fluoride Particles, or not? The M1-xSnxF2 Solid Solutions Electrochemical Data About Disruption of Passivating Films. The Pb/PbSO4/H2SO4 System |
| Record Nr. | UNINA-9910823051803321 |
| Amsterdam ; ; Oxford, : Elsevier, 2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||