Heterocyclic Organic Corrosion Inhibitors: Principles and Applications

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Heterocyclic Organic Corrosion Inhibitors: Principles and Applications
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List of abbreviations and symbols
Preface
Acknowledgment
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
	4.1 Introduction
	4.2 Acid pickling and acidizing processes
		4.2.1 Acid pickling
		4.2.2 Oil well acidizing
	4.3 Corrosion and its inhibition in acid solutions
		4.3.1 Corrosion mechanism
		4.3.2 Mechanism of corrosion inhibition
	4.4 Heterocyclic corrosion inhibitors used for acid environments
		4.4.1 Inhibitors for acid pickling
			4.4.1.1 Azoles
			4.4.1.2 Imidazolines and related compounds
			4.4.1.3 Pyridines and diazines
			4.4.1.4 Quinolines, quinolones, quinoxalines, and quinazolines
			4.4.1.5 Triazines and tetrazines
			4.4.1.6 Macrocyclic compounds
		4.4.2 Inhibitors for acidizing
	4.5 Schemes for synthesis of heterocyclic corrosion inhibitors for acid environment
	References
5. Heterocyclic corrosion inhibitors for sweet and sour environments
	5.1 Introduction
	5.2 Sweet corrosion
	5.3 Sour corrosion
	5.4 Heterocyclic inhibitors for sweet and sour environments
	5.5 Schemes for synthesis of heterocyclic corrosion inhibitors for sweet/sour environment
	References
6. Heterocyclic corrosion inhibitors for neutral environments
	6.1 Introduction
	6.2 Metallic corrosion and its inhibition in neutral environment
	6.3 Heterocyclic corrosion inhibitors for neutral environments
		6.3.1 Inhibitors for iron and alloys
		6.3.2 Inhibitors for aluminum
		6.3.3 Inhibitors for copper
			6.3.3.1 Pyrazoles
			6.3.3.2 Imidazoles
			6.3.3.3 Triazoles
			6.3.3.4 O- and S-containing azoles and tetrazoles
			6.3.3.5 Other heterocycles
	6.4 Schemes for the synthesis of heterocyclic corrosion inhibitors for neutral environments
	References
7. Heterocyclic corrosion inhibitors for alkaline environments
	7.1 Introduction
	7.2 Mechanism of corrosion in alkaline medium
	7.3 Heterocyclic corrosion inhibitors for alkaline environments
	References
8. Heterocyclic corrosion inhibitors for vapor-phase environments
	8.1 Introduction
	8.2 Mechanism and evaluation of corrosion inhibition using VCIs
	8.3 Heterocyclic VCIs for ferrous and non-ferrous metals
	References
9. Environmentally benign heterocyclic corrosion inhibitors
	9.1 Introduction
	9.2 Criteria for green corrosion inhibitors
		9.2.1 Toxicity
		9.2.2 Biodegradation
		9.2.3 Bioaccumulation
	9.3 Application of green chemistry metrics in the development of corrosion inhibitors
	9.4 Application of greener techniques in the development of corrosion inhibitors
		9.4.1 Multicomponent reactions
		9.4.2 Ultrasound-assisted synthesis
		9.4.3 Microwave-assisted synthesis
	9.5 Types of environmentally benign corrosion inhibitors
		9.5.1 Ionic liquids
		9.5.2 Macrocyclic compounds
		9.5.3 Drugs
			9.5.3.1 Expired drugs as corrosion inhibitors
		9.5.4 Plant extracts
		9.5.5 Carbohydrates and other biopolymers
		9.5.6 Chemically modified nanomaterials
	9.6 Schemes for synthesis of heterocyclic ionic liquid based corrosion inhibitors
	9.7 Schemes for chemical modification of chitosan for synthesis of corrosion inhibitors
	9.8 Schemes for synthesis of heterocyclic corrosion inhibitors using MCRs
	References
Index
	A
	B
	C
	D
	E
	F
	G
	H
	I
	K
	L
	M
	N
	O
	P
	Q
	R
	S
	T
	U
	V
	W
	X
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