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Specific Adsorption of Halide Ions on Iron Surface: A Combined Electrochemical and Monte Carlo Simulation Investigation
(ESG, 2017)
The specific adsorption effect of halide ions (i.e., Cl-, Br-, I-) on the surface of mild steel in acid media has been explored by electrochemical and Monte Carlo simulating methods. The electrochemical impedance spectroscopy ...
Anticorrosion potential of domperidone on copper in different concentration of hydrochloric acid solution
(TAYLOR & FRANCIS LTD, 2018)
The inhibition performance of domperidone on the corrosion of copper in different concentration of HCl solution has been investigated by electrochemical, weight loss, and surface analysis, and theoretical calculation ...
Maximum hardness and minimum polarizability principles through lattice energies of ionic compounds
(ELSEVIER SCIENCE BV, 2016)
The maximum hardness (MHP) and minimum polarizability (MPP) principles have been analyzed using the relationship among the lattice energies of ionic compounds with their electronegativities, chemical hardnesses and ...
Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms
(ELSEVIER SCIENCE BV, 2017)
Steel is an important material in industry. Adding heterocyclic organic compounds have proved to be very efficient for steel protection. There exists an empirical rule that the general trend in the inhibition efficiencies ...
A novel method for the calculation of bond stretching force constants of diatomic molecules
(PERGAMON-ELSEVIER SCIENCE LTD, 2016)
Chemical hardness is one of the chemical reactivity descriptors of chemical species and this concept has widely benefited from the development of Density Functional Theory (DFT). In the present report, chemical hardness ...
Corrosion control of mild steel in 0.1 M H2SO4 solution by benzimidazole and its derivatives: an experimental and theoretical study
(ROYAL SOC CHEMISTRY, 2017)
The corrosion inhibition performances of four imidazolium-based corrosion inhibitors on mild steel in acidic medium, namely benzimidazole (BI), 2-aminobenzimidazole (ABI), 2-phenylbenzimidazole (PBI), and omeprazole (OP) ...
A new equation based on ionization energies and electron affinities of atoms for calculating of group electronegativity
(ELSEVIER SCIENCE BV, 2015)
In particular, in organic chemistry, the electronegativity of functional groups are taken into consideration significantly to predict reaction mechanism and to explain inductive effects of functional groups. In the present ...
Anticorrosive Effects of Some Thiophene Derivatives Against the Corrosion of Iron: A Computational Study
(FRONTIERS MEDIA SA, 2018)
It is known that iron is one of the most widely used metals in industrial production. In this work, the inhibition performances of three thiophene derivatives on the corrosion of iron were investigated in the light of ...
Computational, Monte Carlo simulation and experimental studies of some arylazotriazoles (AATR) and their copper complexes in corrosion inhibition process
(ELSEVIER SCIENCE BV, 2018)
The inhibition properties of three synthesized 3-(-arylazo)-1, 2, 4-triazole (AATR) derivatives were investigated for copper corrosion in aerated 0.5 M HNO3 acid using potentiodynamic polarization, cyclic voltammetry, and ...
A Simple Method for the Calculation of Lattice Energies of Inorganic Ionic Crystals Based on the Chemical Hardness
(AMER CHEMICAL SOC, 2015)
This paper presents a new technique for estimation of lattice energies of inorganic ionic compounds using a simple formula. This new method demonstrates the relationship between chemical hardness and lattice energies of ...