K. F. Khaled

Ain Shams University · Department of Chemistry

The main focus of this research is on energy production by clean photocatalytic technology. By using the sol–gel process, yttrium titanate nano‐photocatalysts modified with europium (x mol. Eu³⁺:Y2Ti2O7) have been created and used to produce photocatalytic biogas and hydrogen using acetic acid. X‐ray powder diffraction (XRD) confirms the formation...

In this study the microstructure evolution and corrosion resistance of NiTiCo and Co-free NiTi shape memory alloys (smart alloys) were investigated under various aging conditions. Cobalt NiTi alloy contains 4 at% in addition to 52 at% Nickel and 44 at% Titanium, while in Co-free alloy Titanium content increased to 48 at%. Optical and scanning elect...

1-(2-Dodecylsulfanyl-ethyl)-1H-imidazole (DSEIm) and 2-Imidazol-1-yl-ethylsulfanyl)- acetic acid (ImESAA) were synthesized via radical catalysis method and characterized using 1H NMR and 13C NMR spectroscopy. The corrosion performances of mild steel specimens were studied by three imidazole derivatives include: 1- vinylvinylimidazole (VyIm), DSEIm...

1-(2-Dodecylsulfanyl-ethyl)-1H-imidazole (DSEIm) and 2-Imidazol-1-yl-ethylsulfanyl)-acetic acid (ImESAA) were synthesized via radical catalysis method and characterized using 1H NMR and 13C NMR spectroscopy. The corrosion performances of mild steel specimens were studied by three imidazole derivatives include 1-vinylvinylimidazole ,VyIm, DSEIm and...

A model was previously developed to predict the corrosion inhibition efficiency of steel in chloride solutions using genetic function approximation model. The model considers the influence of steel surface, aggressive solution, surface area, volume, highest occupied and lowest unoccupied molecular orbital of the studied inhibitors and the binding e...

Effect of L-arginine as corrosion and calcium carbonate scale inhibitor has been evaluated using scale inhibition efficiency experiments, electrochemical measurements (Electrochemical impedance spectroscopy, EIS, potentiodynamic polarization and linear polarization measurements) and Monte Carlo simulation measurements. The evaluation shows that L-...

Correlations between the calculated physicochemical descriptors and corrosion inhibition efficiency for furan derivatives against iron corrosion in HCl solutions were examined using quantitative structure-activity relationship (QSAR) paradigm, genetic function approximation (GFA) and neural network analysis (NNA) techniques. The quantum chemical in...

Advances in corrosion inhibition studies revealed that the relationship between structure of the inhibitor molecules and their inhibition efficiencies is essentially a non-linear and highly complex process particularly out of reach of classical statistical modeling techniques. The non-linearity of the corrosion process forced us to look for other s...

A novel application of dendrimer technology is described in the present paper that use dendrimer molecule as a corrosion inhibitor for steel in molar hydrochloric acid. Inhibition effectiveness of polyamidoamine dendrimer (PAMAM) was assessed through potentiodynamic polarization and electrochemical impedance spectroscopy measurements. Polarization...

Scientific research typically has been established on high ethical standards created by researchers in research institutions and universities. Scientific misconduct violates these ethical standards. It can take different shapes, such as plagiarism, falsification of data, and irresponsible authorship. The primary focus of this paper is to show the m...

Density functional theory (DFT) calculations have been used to investigate the minimum energy structures of asparagine molecules on iron (Fe) (111) surface. Adsorption of the asparagine molecule on a Fe (111) surface has been studied computationally to generate adsorption configurations and to use the force field method to obtain a ranking of the e...

In spite of the huge success that has been attributed to the use of computational chemistry in corrosion studies, most of the ongoing research on the inhibition potential of organic inhibitors is restricted to laboratory work. The quantitative structure inhibition (activity) relationship (QSAR) approach is an effective method that can be used toget...

This article examines the issue of scientific misconduct and its implications on corrosion science research through a decade (2001–2011). An analysis is presented of an increasing body of cases in which allegations have been made and violations of legal and ethical research standards have been substantiated. The frequencies with which scientists fa...

Scientific society is unable to effectively define the boundaries between fraudulent acts and examples of poor science. This article examines the current level of fraud (especially data fabrication) and presents a proposal that involves conducting data audits of submitted manuscripts to prevent the publication of fraudulent work. Similar to the leg...

Weight loss measurement and various electrochemical AC and DC corrosion monitoring techniques are performed at 308 K using Armco iron specimens immersed in 1M HCl solution in the presence and absence of various amino acids (methionine, cysteine, cystine, glycine, leucine, arginine, serine, glutamic acid, ornithine, Lysine, aspartic acid, alanine, v...

The inhibition effect of cerium sulphate tetrahydrate on the corrosion of steel in 3.5 % NaCl solutions at 25 ±1 °C was investigated by using electrochemical frequency modulation EFM, electrochemical impedance spectroscopy EIS, potentiodynamic polarization and atomic force microscopy (AFM). The electrochemical measurements demonstrated that, under...

The corrosion inhibition effect of L-arginine has been used as corrosion inhibitor for steel in 3.5 % NaCl. In this study, electrochemical frequency modulation, EFM was usedas an effective method for corrosion rate determination. In EFM measurments, corrosion current density was determined without prior knowledge of Tafel slopes. Corrosion rates ob...

Scientific research typically has been established on high ethical standards created by researchers in research institutions and universities. Scientific misconduct violates these ethical standards. It can take different shapes, such as plagiarism, falsification of data, and irresponsible authorship. The primary focus of this paper is to show the m...

The corrosion inhibition effect of L-arginine has been used as possible corrosion inhibitor for steel in 1.0 M HCl. Several chemical (weight loss) and electrochemical (potentiodynamic polarization, electrochemical impedance spectroscopy, EIS and electrochemical frequency modulation, EFM) measurements have been used. Data obtained from chemical and...

Misconduct in experimental electrochemical and corrosion research does not appear to be on the increase. However, ‘gamesmanship’ does appear to be becoming more frequent. All of these activities are awful for science because of the impact they have on public trust of science. They are also terrible for people who become involved – the scientist who...

We have performed density functional theory calculations to investigate the adsorption of carbon monoxide, CO on Pd(110) substrate using CASTEP module. One adsorption site and the short bridge site have been focused, as those are known to be energetically preferred at fixed coverage. At 1 ML coverage the CO molecules repel each other preventing the...

In this study an electrochemical cell based on Rhodamine B as an organic dye was fabricated for the first time. Several electrochemical measurements was used to investigate the electrochemical properties of Zinc/Rhodamine B aqueous solution/carbon. These electrochemical measurements include: polarization charge/discharge characteristics of the volt...

The inhibition performance of cerium sulphate tetrahydrate on the corrosion of steel in 1.0 M HCl solutions was investigated by using chemical (weight loss), electrochemical (electrochemical frequency modulation, electrochemical impedance spectroscopy, potentiodynamic polarization) and atomic force microscopy (AFM) at 25 ± 1 °C. Cerium sulphate tet...

Inorganic polymerization of Al2O3- and SiO2- containing materials in strong alkali environments often results in products generally referred to as geopolymers. A novel technique called the geopolymer technique will be studied. The geopolymer technique was initially applied for preparation of monolithic materials, starting from metakaolin and reacti...

Density functional theory (DFT) calculations have been used to investigate the minimum energy structures of alanine molecules on iron (111). Adsorption of alanine molecule on iron (111) surface has been studied computationally to generate adsorption configurations and to use the force field method to obtain a ranking of the energies for each genera...

The Density Functional Theory (DFT) and ab initio (HF and MP2) calculations were performed on the quinoline molecule (QL) and its derivatives, namely quinaldine (QLD) and quinaldic acid (QLDA) to investigate their possible role as corrosion inhibitors for mild steel in acidic medium. Calculations were done for non-protonated and protonated forms in...

The inhibiting effect of 2-thiophenecarboxylic acid methyl ester, TME on iron corrosion in 1.0 M HCl solutions were evaluated using several electrochemical measurements includes potentiodynamic polarization, electrochemical impedance spectroscopy and electrochemical frequency modulation techniques. Adsorption mechanism of TME on iron surface was ex...

Corrosion inhibition performance of thiophene and its derivatives were studied using potentiodynamic polarization. The study used the artificial neural network analysis effectively generalized correct responses that broadly resemble the data in the training set. The neural network can now be put to use with the actual data, this involves feeding th...

In this study, the inhibition effect of 3-amino-1,2,4-triazole (ATA) on copper corrosion in 2M HNO 3 solution was studied. Electrochemical techniques such as potentiodynamic polarization curves, weight loss (WL) and electrochemical impedance spectroscopy (EIS) were used. Results showed that ATA has good inhibition efficiency on the corrosion of cop...

The QSAR approach is becoming more desirable for predicting of corrosion inhibition properties. The inhibition efficiency of organic compounds is dependent on many basic molecular descriptors include: dipole moments, molecular surface area, molecular volume, electronic parameters as EHOMO (highest occupied molecular orbital energy); ELUMO (lowest u...

The inhibition effect of 1-methyl pyrazole (MPA) on the acidic corrosion of iron in 1.0M HCl was studied at different concentrations (10−3–10−2M) by potentiodynamic polarization and electrochemical impedance spectroscopy, and EIS measurements. It is found from the polarization studies that methyl pyrazole (MPA) behaves mainly as anodic inhibitor in...

QSAR studies on the inhibition corrosion efficiencies of twenty three organic compounds on steel surface in hydrochloric acid solutions using several physicochemical descriptors and investigation of the adsorption of these compounds on the steel surface by Monte Carlo simulation method were studied. Topological indices as well as several structural...

The corrosion and corrosion inhibition of iron in HCl solutions in the absence and presence of pyrazole (PA) were investigated by potentiodynamic polarization and electrochemical impedance spectroscopy (EIS). Changes in impedance parameters (Rct and Cdl) were indicative of the adsorption of PA on the iron surface. The adsorption of PA is found to o...

A new pyrimidine heterocyclic derivative, namely 2-ethylthio-4-(p-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile (EPD) was prepared and its inhibition performance towards copper corrosion in 3.5% NaCl solutions was studied by potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and electrochemical frequency modulati...

A relationship between molecular structures of three thiosemicarbazone derivatives and their inhibition capability was studied using electrochemical measurements (potentiodynamic polarization and EIS), molecular dynamics method and quantum chemical calculations. Electrochemical measurements results revealed that the inhibition efficiencies increase...

The inhibition effect of 2-carboxymethylthio-4-(p-methoxyphenyl)-6-oxo-1,6-dihy-dropyrimidine-5-carbonitrile (CPD) towards the corrosion of copper was studied in aerated stagnant 3.5% NaCl at 25°C using ac techniques include electrochemical frequency modulation and electrochemical impedance spectroscopy as well as potentiodynamic polarization measu...

The corrosion inhibition of iron in 1.0M HNO3 by some benzimidazole derivatives, namely 2-(aminomethyl)benzimidazole, 2-(chloromethyl)benzimidazole, and 2-(methylthio)benzimidazole has been studied using weight loss, potentiodynamic polarization, and electrochemical impedance spectroscopy. The results showed that the inhibition efficiency increased...

The inhibiting effects of 2-mercapto-4-amino-5-nitroso-6-hydroxy pyrimidine (MAP) at various concentrations on the copper corrosion in 3.5% NaCl solutions at 25 °C are examined. The inhibiting efficiency of MAP is evaluated from weight loss, potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), and electrochemical frequency mo...

The inhibiting action of 2-mercapto benzimidazole (2MBI) on mild steel in 1.0 M hydrochloric acid has been investigated at 308 K using weight loss measurements and electrochemical techniques (impedance spectroscopy and potentiodynamic polarisation). Inhibition efficiency increases with 2MBI concentration to attain 98% at 10−3 M. Polarisation curves...

The use of cerium coating in corrosion inhibition of refrigerating systems provides an environmentally acceptable approach than the traditional chromium coating which is restricted. However the integrity of the films produced by cerium coatings is still a matter of concern and active research. The simulations presented here are, to our knowledge, t...

The inhibition action of natural honey was investigated with two concentrations by using weight loss method, potentiodynamic polarization technique and electrochemical impedance spectroscopy techniques. 75g and 150g of honey of were diluted in 14 litres of tropical seawater in order to produce two different concentrations. The weight loss of alumin...

Copper corrosion inhibition in 1 MHNO3 solution by some benzotriazole derivatives, namely N-(2-thiazolyl)- 1H-benzotriazole-1-carbothioamide (TBC), N-(furan-2- ylmethyl)-1H-benzotriazole-1-carbothioamide (FBC) and N-benzyl-1H-benzotriazole-1-carbothioamide (BBC), was investigated by ac impedance, dc polarization and weight loss techniques. A signif...

A molecular dynamics study for the adsorption of three benzimidazole derivatives and their inhibition characteristics was studied using chemical (weight loss) and electrochemical measurements (potentiodynamic polarization and electrochemical impedance spectroscopy, EIS). Electrochemical measurements results revealed that the inhibition efficiencies...

Inhibition performance of three amino acids, namely l-methionine (MIT), l-methionine sulfoxide (MITO) and l-methionine sulfone (MITO2), as corrosion-safe inhibitors for copper surface in 1.0M nitric acid was investigated by weight loss, dc polarization and ac impedance techniques. A significant decrease in the corrosion rate of copper was observed...

Electrochemical frequency modulation (EFM), electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization have been used to investigate the inhibition effect of a new pyrimidine heterocyclic derivative, namely 2-mercapto-4-(p-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile (MPD) on copper corrosion in 3.5% NaCl solutions a...

The effects of thiourea derivatives, namely N-methyl thiourea (MTU), N-propyl thiourea (PTU) and N-allyl thiourea (ATU) on the corrosion behaviour of iron in 1.0 M solution of HNO3 have been investigated in relation to the concentration of thiourea derivatives. The experimental data obtained using the techniques of weight loss, Tafel polarization a...

Chemical and electrochemical measurements incorporated with quantum chemical calculations and molecular dynamics simulations were used to study the corrosion inhibition characteristics of some thiosemicarbazone derivatives on the inhibition of aluminum corrosion in 1.0 M HNO3. Polarization curves demonstrated that the thiosemicarbazone derivatives...

The inhibitive action of some benzimidazole derivatives namely 2-(2-furanyl)-1H-benzimidazole (FB), 2-(2-pyridyl) benzimidazole (PB) and 2-(4-thiazolyl) benzimidazole (TB), against the corrosion of iron in solutions of nitric acid has been studied using density function theory calculations (DFT), weight loss, potentiodynamic polarization and electr...

The adsorption and corrosion inhibition behavior of three selected thiosemicarbazone derivatives, namely 3-pyridinecarboxaldehyde thiosemicarbazone (META), isonicotinaldehyde thiosemicarbazone (PARA) and 2-pyridinecarboxaldehyde thiosemicarbazone (ORTHO) at the nickel surface were studied electrochemically by Tafel and impedance methods and computa...

The corrosion inhibition characteristics of non-ionic surfactants of the TRITON-X series, known as TRITON- X-100 (TX-100), TRITON-X-165 (TX-165) and TRITON-X-305 (TX-305), on iron in 1.0 M HCl solution were studied. Measurements were conducted in 1.0 M HCl solutions without and with various concentrations of the three selected surfactants using che...

The performance of three selected amino acids, namely alanine (Ala), cysteine (Cys) and S-methyl cysteine (S-MCys) as safe corrosion inhibitors for iron in aerated stagnant 1.0 M HCl solutions was evaluated by Tafel polarization and impedance measurements. Results indicate that Ala acts mainly as a cathodic inhibitor, while Cys and S-MCys function...

Corrosion inhibition of copper in O2-saturated 0.50M H2SO4 solutions by four selected amino acids, namely glycine (Gly), alanine (Ala), valine (Val), or tyrosine (Tyr), was studied using Tafel polarization, linear polarization, impedance, and electrochemical frequency modulation (EFM) at 30°C. Protection efficiencies of almost 98% and 91% were obta...

The inhibition performance of some furan derivatives, namely, methyl 2-furoate, ethyl 2-furoate, and amyl 2-furoate on mild steel in normal hydrochloric acid medium ( HCl) at , was studied by weight loss, potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), and electrochemical frequency modulation measurements (EFM). Furan...

The corrosion behaviour of steel at various concentrations of perchloric acid was studied by weight loss method in temperature range from 298 to 323K. Results obtained show that corrosiveness of acid increases with its concentration and temperature. The logarithm of corrosion rate was plotted against the acid concentration and values of Hammett Ho...

The protection influence of glycine (Gly) and a one of its derivatives, namely 2-(bis(2-aminoethyl)amino) acetic acid, designated here as GlyD; where GlyD stands for ‘‘glycine derivative”, against cold rolled steel (CRS) corrosion was studied in aerated stagnant 1.0 M HCl solutions at 25 �C. Measurements were conducted under various experimental co...

Inhibition effect of 3-pyridinecarboxaldehyde thiosemicarbazone (META) on the mild steel corrosion in one molar hydrochloric acid was investigated using weight loss, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS). Results showed that (META) is an effective inhibitor for mild steel corrosion in 1.0M HCl solutions and i...

The efficiency of three furan derivatives, namely 2-(p-toluidinylmethyl)-5-methyl furan (Inh. A), 2-(p-toluidinylmethyl)-5-nitro furan (Inh. B) and 2-(p-toluidinylmethyl)-5-bromo furan (Inh. C), as possible corrosion inhibitors for mild steel in 1.0M HCl, has been determined by weight loss and electrochemical measurements. These compounds inhibit c...

Inhibition effect of a new pyrimidine heterocyclic derivative, namely 2-hydrazino-4-(p-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitri le (HPD) on copper corrosion in 3.5% NaCl solutions at 25°C ±1 was investigated by using potentiodynamic polarization, electrochemical impedance spectroscopy, EIS and electrochemical frequency modulation, EF...

The inhibitive action of 4-methyl pyrazole (4MP) against the corrosion of iron (99.9999%) in solutions of hydrochloric acid has been studied using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS). At inhibitor concentration range (10−3–10−2 M) in 1.0M acid, the results showed that 4MP suppressed mainly the anodic proces...

Corrosion inhibition of copper in O2-saturated 0.50 M H2SO4 solutions by four selected amino acids, namely glycine (Gly), alanine (Ala), valine (Val), or tyrosine (Tyr), was studied using Tafel polarization, linear polarization, impedance, and electrochemical frequency modulation (EFM) at 30 �C. Protection efficiencies of almost 98% and 91% were ob...

Atomistic modelling and simulations are becoming increasingly important in the field of corrosion inhibition. New research and development efforts and new possibilities for using computational chemistry in studying the behaviour of corrosion inhibitors on the metal surfaces are introduced. In this study, Monte Carlo simulations technique incorporat...

Three benzotriazole derivatives namely, 1-(Phenylsulfonyl)-1H-benzotriazole (PSB), 1-(3-Pyridinylsulfonyl)-1H-benzotriazole (3PSB) and 1-(2-Pyridinylsulfonyl)-1H-benzotriazole (2PSB) have been investigated for the corrosion of copper in 1 M HNO3 at different concentrations at 25 ± 1 °C using chemical (weight loss) and electrochemical (Tafel polariz...

With contrast to the traditional techniques of identifying and synthesizing new corrosion inhibitors in wet lab, a prior dry-lab process, followed by a wet-lab process is suggested by using cheminformatics tools. Quantum chemical method is used to explore the relationship between the inhibitor molecular properties and its inhibition efficiency. The...

The physical behavior of three selected thiazole derivatives, namely 2-Amino-4-(p-tolyl)thiazole (APT), 2- Methoxy-1,3-thiazole (MTT) and Thiazole-4-carboxaldehyde (TCA) at iron (1 1 0) surface dissolved in aqueous solution were studied via molecular dynamics (MD) simulations. From the calculated binding energies, APT showed preferred adsorption on...

The efficiency of N-(2-thiazolyl)-1H-benzotriazole-1-carbothioamide (TBC) as a non-toxic corrosion inhibitor for copper in 0.5M HCl has been tested by weight loss and electrochemical techniques. Electrochemical techniques show that TBC is a mixed-type inhibitor and its inhibition mechanism on copper surface is adsorption assisted by H-bond formatio...

The corrosion inhibition and adsorption characteristics of three selected imidazole derivatives namely, 2-amino-4,5-imidazoledicarbonitril (AID), 5-amino-4-imidazolecarboxamide (AIC) and imidazole (IM) on aluminum in 1.0 M HCl was investigated at 25 �C. Measurements were carried out under various experimental conditions using chemical (weight loss)...