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    Aminoantipyrine derivatives as a novel eco-friendly corrosion inhibitors for P110 steel in simulating acidizing environment: Experimental and computational studies
    (Elsevier Sci Ltd, 2020) Singh, Ambrish; Ansari, K. R.; Quraishi, M. A.; Kaya, Savas; Guo, Lei
    The present paper deals with the synthesis and corrosion inhibition evaluation of aminoantipyrine (AAPs) derivatives on P110 steel in 15% hydrochloric acid solution using standard techniques such as weight loss, electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP). The predicted toxicity (LD50) values are 1482 mg/kg (AAP-1) and 1380 mg/kg (AAP-2). AAPs are effective corrosion inhibitors giving inhibition efficiency of 95% (AAP-1) at only 400 mg/L concentration. Adsorption of AAPs on the P110 steel surface involves both physical and chemical interactions. The EIS results suggest an increased value of charge transfer resistance with increasing AAPs concentration. PDP result reveals that AAP's are mixed type inhibitors with anodic predominance. SEM, AFM, contact angle and XPS spectra, confirmed the presence of adsorbed inhibitor film. DFT study confirms the participation of both neutral and protonated forms in the corrosion inhibition process. The interaction of AAPs with P110 steel was analyzed by MD simulation that includes the calculation of adsorption energy, RDF, diffusion coefficients, and fractional free volume.
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    Anti -corrosion investigation of pyrimidine derivatives as green and sustainable corrosion inhibitor for N80 steel in highly corrosive environment: Experimental and AFM/XPS study
    (Elsevier, 2020) Singh, Ambrish; Ansari, K. R.; Chauhan, Dheeraj Singh; Quraishi, M. A.; Kaya, Savas
    Chromeno pyrimidine (CPs) derivatives were synthesized using green approach that involves reaction of multicomponent in one pot using water as solvent. The CPs molecules were tested as potential corrosion inhibitor for N80 steel in 15% hydrochloric acid solution using standard techniques such as weight loss (WT), electro- chemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP). CPs are effective corrosion inhibitors giving inhibition efficiency of 96.4% at only 200 mg/L concentration (CP-1). Adsorption of CPs with metal surface involve both physical and chemical interactions. EIS results depicted an increase in charge transfer resistance with increase in concentration of CPs. PDP study suggests mixed mode of CPs inhibition action. The adsorbed inhibitor film was confirmed by AFM and XPS spectra.
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    The effect of an N- heterocyclic compound on corrosion inhibition of J55 steel in sweet corrosive medium
    (ROYAL SOC CHEMISTRY, 2019) Singh, Ambrish; Ansari, K. R.; Quraishi, M. A.; Kaya, Savas; Banerjee, Priyabrata
    The corrosion inhibition behavior of a naphthoxazinone derivative 1-phenyl-1,2-dihydronaphtho[1,2-e][1,3]oxazin-3-one (PNO) on J55 steel in 3.5 wt% NaCl solution saturated with carbon dioxide was evaluated using weight loss, electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization. The surface morphology on the metal sample was analyzed using scanning electron microscopy (SEM) and atomic force microscopy (AFM). The adsorption of PNO obeyed the Langmuir isotherm. The results of potentiodynamic polarization indicated that the PNO molecule behaved as a mixed type inhibitor by reducing both the anodic and the cathodic electrochemical reactions. The surface analysis showed that the metal surface is considerably smoother and with more uniform morphology in the presence of the inhibitor. DFT based quantum chemical calculations and molecular dynamic (MD) simulations supported the experimentally obtained results.
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    Inhibition effect of newly synthesized benzoxanthonesderivative on hydrogen evolution and Q235 steelcorrosion in 15% HCl under hydrodynamic condition: Combination of experimental, surface and computational study
    (Pergamon-Elsevier Science Ltd, 2021) Singh, Ambrish; Bedi, Pooja; Ansari, K. R.; Pramanik, Tanay; Chaudhary, Diksha; Santra, Soumava; Alanazi, Abdullah K.
    The investigation of this study deals with the synthesis using green synthetic approach, characterization and application of benzoxanthones derivative namely 9,9-Dimethyl-12-ptolyl-8, 9,10, 12-tetrahydrobenzo[a]xanthen-1-one (TBX) for the inhibition of Q235 steel corrosion in 15% HCl under dynamic condition. The results of EIS confirmed towards the increment in Rct values with rise in concentration. Additionally, results of PDP reveals that TBX is cathodic type inhibitor. The maximum inhibitive excellency of TBX was given at 200 mg/L with the value of 92.3%. The increasing temperature tends to increase in corrosion rate. Langmuir adsorption isotherm provides the excellent fitting. The surface morphology and adsorption of TBX molecules were confirmed using scanning electron microscopy (SEM) and X-photo electron microscopy (XPS). Density functional theory (DFT) and Molecular dynamic simulation (MD) confirmed that corrosion inhibition efficiency ranking obtained for studied molecules is TBXH thorn > TBX. (c) 2021 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
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    Inhibitive performance of novel/eco-friendly pyrimidine derivative for Q235 steel protection in 15% HCl under hydrodynamic condition: Combination of experimental, surface and computational approach
    (Elsevier, 2022) Singh, Ambrish; Ansari, K. R.; Lin, Yuanhua; Ali, Ismat H.; Kaya, Savas; El Ibrahimi, Brahim
    The developing effective and eco-friendly corrosion inhibitor plays a vital role in protecting Q235 steel in acid solution. Accordingly, novel pyrimidine derivatives, namely 4-Amino-2-phenyl-1,2-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidine-3-carbonitrile (APC), were synthesized and applied as the corrosion inhibitor under hydrodynamic conditions in 15% HCl. The inhibition performance was investigated by weight-loss experiment, potentiodynamic polarization curve, electrochemical impedance test, scanning electron microscope (SEM), atomic force microscopy (AFM), contact angle measurement, and X-ray photoelectron spectroscopy. The research showed that APC exhibited good inhibition nature for Q235 steel in 15% HCl medium, and the inhibition efficiency is correlated with APC concentration. The change of impedance parameters showed that the corrosion inhibitor adsorbs on the surface of Q235 steel in forming a protective film. The protective performance results come to 92.83% at 400 mg/L. Langmuir isotherm represents the excellent fitting. SEM, AFM, and XPS observation on the surface of Q235 steel showed that the metal matrix has a good anti-corrosion effect in the corrosion inhibitor solution. Density functional theory (DFT) and Molecular dynamic simulation (MD) were used to determine the inhibitor's and metal interactions' relationship.
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    Theoretically and experimentally exploring the corrosion inhibition of N80 steel by pyrazol derivatives in simulated acidizing environment
    (Elsevier, 2020) Singh, Ambrish; Ansari, K. R.; Quraishi, M. A.; Kaya, Savas
    Acidizing is the important process used in petroleum industry for oil well stimulation. Here, we are exploring the green synthesis of 4,4'-((4-methoxyphenyl)methylene)bis(3-methyl-1-phenyl-1H-pyrazol-5-ol) (PZ-1) and 4,4'-((4-nitrophenyl)methylene)bis(3-methyl-1-phenyl-1H-pyrazol-5-ol) (PZ-2) under ultrasonic irradiation and its potential application for N80 steel corrosion mitigation in 15% HCl. The corrosion inhibition investigation was performed by open circuit potential (OCP), electrochemical impedance spectroscopy (EIS), linear polarization (LPR), potentiodynamic polarization (PDP), electrochemical frequency modulation (EFM), and electrochemical frequency modulation trend (EFMT), weight loss, scanning electron microscopy (SEM), atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), density functional theory (DFT) and molecular dynamics (MD). The EIS and PDP results suggests an increased impedance in presence of PZs and mixed nature of inhibitor action respectively. The protection efficiency (eta%) are 98.4% (PZ-1) and 94.3% (PZ-2). The results of EFMT provides the average decrease in corrosion rate and corrosion current density (i(corr)).The surface analysis suggests a protective layer of PZs. DFT analysis reveals that PZ-1 with lower value of Delta E acts as a better inhibitor compared to PZ-2. MD study supports a stronger binding and interaction ability of PZ-1 than PZ-2. (C) 2020 Elsevier B.V. All rights reserved.