Heterocyclic organic corrosion inhibitors : principles and applications /

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autores principales: Quraishi, Mumtaz A. (Autor), Chauhan, Dheeraj S. (Autor), Saji, Viswanathan S. (Autor)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Amsterdam : Elsevier, [2020]
Temas:
Corrosion and anti-corrosives.
Corrosion and anti-corrosives
Acceso en línea:Texto completo
Tabla de Contenidos:
  • Front Cover
  • Heterocyclic Organic Corrosion Inhibitors
  • Heterocyclic Organic Corrosion Inhibitors: Principles and Applications
  • Copyright
  • Contents
  • Preface
  • Acknowledgment
  • List of abbreviations and symbols
  • 1
  • Heterocyclic corrosion inhibitors
  • 1.1 Introduction
  • 1.2 Heterocyclic compounds
  • 1.3 Important heterocyclic systems
  • 1.3.1 Azoles
  • 1.3.2 Indoles
  • 1.3.3 Pyridines
  • 1.3.4 Diazines
  • 1.3.5 Quinolines
  • 1.4 Nomenclature of heterocyclic compounds
  • 1.4.1 Common or trivial names
  • 1.4.2 Hantzsch-Widman nomenclature
  • 1.4.3 The replacement nomenclature
  • 1.5 Heterocyclic systems as corrosion inhibitors
  • 1.5.1 Five-membered heterocycles
  • 1.5.2 Six-membered heterocycles
  • 1.5.3 Macrocyclic compounds
  • 1.6 Effect of substituents on corrosion inhibition efficiency
  • Suggested reading
  • References
  • 2
  • Experimental methods of inhibitor evaluation
  • 2.1 Introduction
  • 2.2 Gravimetric method
  • 2.2.1 Effect of concentration
  • 2.2.2 Effect of temperature and activation parameters
  • 2.3 Adsorption parameters
  • 2.3.1 Adsorption isotherms
  • 2.3.2 Adsorption energy
  • 2.4 Electrochemical methods
  • 2.4.1 Open circuit potential vs. time
  • 2.4.2 Electrochemical impedance spectroscopy
  • 2.4.3 Potentiodynamic polarization
  • 2.4.4 Electrochemical frequency modulation
  • 2.4.5 Linear polarization resistance
  • 2.5 Surface analytical techniques
  • 2.5.1 Water contact angle
  • 2.5.2 Scanning electron microscopy
  • 2.5.3 Energy-dispersive X-ray spectroscopy
  • 2.5.4 Atomic force microscopy
  • 2.5.5 X-ray diffraction
  • 2.5.6 Fourier transform infrared spectroscopy
  • 2.5.7 X-ray photoelectron spectroscopy
  • 2.5.8 Time-of-flight secondary ion mass spectrometry
  • Suggested reading
  • References
  • 3
  • Computational methods of inhibitor evaluation
  • 3.1 Introduction
  • 3.2 Density functional theory
  • 3.2.1 Theoretical basis
  • 3.2.2 Functionals
  • 3.2.3 Basis sets
  • 3.3 DFT-based quantum chemical parameters
  • 3.3.1 Frontier molecular orbitals
  • 3.3.2 Frontier orbital energies
  • 3.3.3 Electronegativity and the electronic chemical potential
  • 3.3.4 Global hardness and softness
  • 3.3.5 Electrophilicity and nucleophilicity indices
  • 3.3.6 Fraction of electrons transferred
  • 3.3.7 Energy change for donation and back donation of charges
  • 3.3.8 Dipole moment
  • 3.3.9 Proton affinity
  • 3.3.10 Molecular electrostatic potential
  • 3.3.11 Fukui indices
  • 3.4 pKa analysis
  • 3.5 Atomistic simulations
  • 3.5.1 Ensemble
  • 3.5.2 Molecular dynamics simulations
  • 3.5.3 Monte Carlo simulations
  • 3.5.4 Force fields
  • 3.5.5 Boundary conditions
  • 3.6 Application of atomistic simulation to corrosion inhibition studies
  • 3.6.1 Total energy
  • 3.6.2 Interaction energy
  • 3.6.3 Binding energy
  • 3.6.4 Solvation energy
  • 3.6.5 Radial distribution function
  • 3.6.6 Mean square displacement and diffusion coefficient
  • Suggested reading
  • References
  • 4
  • Heterocyclic corrosion inhibitors for acid environments

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