Sulfa Guanidine Azo Derivatives as Environmentally - Friendly Corrosion Inhibitors for Nickel in HCl Solution: Theoretical and Experimental Study
نویسنده
چکیده
The protection influence of three sulfa guanidine azo derivatives against nickel corrosion was studied in 0.5 M HCl solutions at 25oC. Measurements were conducted under various experimental conditions using potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and electrochemical frequency modulation (EFM) techniques. These studies have shown that sulfa guanidine azo derivatives are very good ‘‘green”, mixed-type inhibitors. Electrochemical frequency modulation (EFM) and electrochemical impedance spectroscopy (EIS) method of analysis are also presented here for monitoring corrosion. Corrosion rates obtained from both EFM and EIS methods are comparable with those recorded using Tafel extrapolation method, confirming validation of corrosion rates measured by the latter. The inhibitive action of these sulfa guanidine azo derivatives was discussed in terms of blocking the electrode surface by adsorption of the molecules through the active centers contained in their structures following Langmuir adsorption isotherm. Quantum chemical method was also employed to explore the relationship between the inhibitor molecular properties and its protection efficiency. The density function theory (DFT) is used to study the structural properties of sulfa guanidine azo derivatives in aqueous phase in an attempt to understand their inhibition mechanism. The protection efficiencies of these compounds showed a certain relationship to highest occupied molecular orbital (HOMO) energy, Mulliken atomic charges and Fukui indices.
منابع مشابه
Effect of Dates Extracts as Environmentally Friendly Corrosion Inhibitor for Carbon Steel in 1M HCl Solution
Inhibitory effect of extracts from three date varieties namely khalt (kha), Lassiane (La) and Tadmamt (Td)), and the mixture of date varieties as environmentally friendly corrosion inhibitor for carbon steel in 1M HCl is studied by means of electrochemical tests such as electrochemical impedance spectroscopy (EIS), and Tafel polarization. It's been obtained that in 1.0 M HCl solution the date e...
متن کاملComputational Simulation of the Adsorption Behavior of Benzimidazolone Derivatives as Inhibitors for Ordinary Steel Corrosion in HCl 1M
The adsorption behavior of Benzimidazol-2-one (Bz), 5-Methylbenzimidazol-2-one(CH3Bz) and 5-Chlorobenzimidazol-2-one (ClBz) as inhibitors for mild steel corrosion in HCl 1M have been studied computationally using density functional theory (DFT) calculations with the hybrid B3LYP functional. The calculations were focused on the protonated forms of the molecules under study, seeing tha...
متن کاملAB Initio Studies of Adsorption of Some Organic Inhibitors (Pyridine and Its derivatives) at the Aluminum Surface in hydrochloric acid (HCl).
A quantum chemical study of the corrosion inhibition properties of some organic inhibitormolecules, pyridine, 2-picoline, 3-picoline, 4-picoline, 2, 4-lutidine at the aluminum surface inhydrochloric acid (HCl) was carried out. The models of the inhibitors adsorption on the Al-surfacewere optimized with the HF and B3LYP level using the 6-31G and LANL2DZ basis sets fromthe program package Gaussia...
متن کاملCORROSION INHIBITION OF COPPER IN ACID MEDIUM BY DRUGS: EXPERIMENTAL AND THEORETICAL APPROACHES
The inhibition performances of nafcillin (III), methicillin (II) and penicillin G (I) on the corrosion of copper in HCl was studied and tested by weight loss, Tafel polarization, SEM, UV-vis spectrophotometry, molecular dynamics method and quantum chemical calculations. Polarization curves indicated that the studied inhibitors act as mixed-type inhibitors. The values of inhibition efficiency an...
متن کاملTheoretical study for evaluation of corrosion inhibition performance of two thiocarbohydrazide inhibitors
Molecular dynamics (MD) simulation and Density functional theory (DFT) methods were applied to the two thiocarbohydrazides derivatives (T1 and T2) as corrosion inhibitors for carbon steel in aqueous phase. Experimental results have shown that the corrosion rate follows the below order: T1>T2. Quantum chemical parameters such as hardness (η), electrophilicity (ω),polarizability (α), dipole momen...
متن کامل