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Item APPLICATION OF QUERCETIN AS A GREEN INHIBITOR TO PREVENT MILD STEEL CORROSION IN THE PETROLEUM INDUSTRY: EXPERIMENTAL AND MODELLING TECHNIQUES(Elsevier, 2024-03) Saranya, J; Vagdevi, K; Jyothirmai, B; Anusuya, N; Benhiba, F; Warad, I; Zarrouk, AQuercetin (QT) is found to be a green source of anti-corrosion additive for M-S protection in 0.5 M sulfuric solution. Weight loss, surface studies, atomic absorption spectroscopy, potentiodynamic polarization (PP), impedance spectroscopy (EIS), - more especially, scanning electron microscopy combined with energy dispersive spectroscopy SEM/EDS—and simulation studies were among the methods used to evaluate the efficacy of corrosion inhibition. With 1000 ppm of the inhibitor at 303 K, the weight loss trials had the highest inhibition effectiveness of 96.8 % which obeyed Langmuir adsorption isotherm. The inhibitor QT is represented as mixed-type as per polarization studies. Scanning electron microscopy test results showed the lesser degradation of the lower M-S surface in 0.5 M H2SO4 solution at 1000 ppm QT. Moreover, modelling studies employing density functional theory (DFT) and molecular dynamics (MD) showed that the green inhibitor QT adsorbed on the M-S surface and formed a barrier on the metal surface.Item ISOXAZOLINE DERIVATIVES AS INHIBITORS FOR MILD STEEL CORROSION IN 1M H2SO4: COMPUTATIONAL AND EXPERIMENTAL INVESTIGATIONS(Springer Link, 2022-03-16) Anusuya, N; Saranya, J; Benhiba, F; Warad, I; Zarrouk, A; Chitra, SThe isoxazoline derivatives namely 3-phenylamino-5-(3′-methoxy-4′-hydroxyphenyl) isoxazoline (PAMHI), 3-phenylamino-5-(4′-methoxyphenyl)isoxazoline (PAMI) and 3-phenylamino-5-(4′-hydroxyphenyl)isoxazoline (PAHI) were synthesized and tested for their inhibition capacity against the mild steel (MS) corrosion in 1 M H2SO4. Their inhibition performance toward MS has been studied through well-known methods namely weight loss (WL), electrochemical and surface analysis. The inhibition efficiency of PAMHI was 95.90% at 10mM concentration. The adsorption studies indicated that the isoxazoline derivatives obeyed Langmuir adsorption isotherm on the mild steel surface, and Gibbs free energy values were in the range of -32.05, -28.52 and -33.44 kJ mol-1. These results suggested that the inhibitor molecules interacted with the mild steel surface through mixture adsorption. Also, mixed type behavior was observed for the studied inhibitors from polarization studies. The presence of a protective layer of organic matter was validated by scanning electron microscopy (SEM) and atomic force microscopy (AFM) techniques. Density-functional theory (DFT) method and molecular dynamics (MD) simulation have been studied and the results shown that the inhibitory efficiencies of the three molecules tested are almost the same.Item A CYANOPYRAN DERIVATIVE FOR PREVENTING CORROSION OF PIPELINE MATERIAL USED IN THE OIL AND GAS INDUSTRY(Analytical & Bioanalytical Electrochemistry, 2022-09-30) Saranya, J; Anusuya, N; Benhiba, F; Warad, I; Abdelkader M, ZarroukThe present work deals with the corrosion inhibition mechanism of mild steel in 1 M H2SO4 employing the new carbonitrile derivative viz. 2-amino-4-(4-hydroxyphenyl)-6-(p-tolyl)-4H-pyran-3-carbonitrile (HCN). A such mechanism was elicited by means of the potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) techniques and weight loss (WL). The experimental results revealed maximal inhibition efficiency (IE) rates up to 92.4% in weight loss. WL measurement revealed a decrease in corrosion rate with increasing concentration of corrosion inhibitor and decreasing with increasing temperature up to 333 K. The Nyquist curves indicated that the corrosion inhibition was controlled by a charge transfer process whereas the PDP curves showed that the HCN behaved as a mixed-type corrosion inhibitor. The Langmuir isotherm was used to determine the adsorption thermodynamic parameters. Thermodynamic characteristics for activation and adsorption were determined and discussed. Adsorption free energy at 303 K (∆G°ads=-22.26 kJ mol-1 for HCN) indicated a combination of chemisorption and physisorption. The inhibitor (HCN) formed a protective layer that acted as a barrier between the surface of the metal and the acid medium which was investigated through surface studies like Scanning Electron Microscopy (SEM) coupled with Energy dispersive X-ray analysis (EDS). The surface studies were in coincidence with weight loss and electrochemical studies. Density functional theory (DFT) was performed to support the experimental data in an aqueous medium using the basis set 6-311G(d,p). From the Mulliken population analysis, the adsorption sites have been studied and the results of DFT were steady with the experimental studies.Item AMINOTHIAZOLYL COUMARIN DERIVATIVES AS EFFECTUAL INHIBITORS TO ALLEVIATE CORROSION ON MILD STEEL IN 0.5 M H2SO4(Springer Link, 2021-06-21) Mahalakshmi, D; Saranya, J; Benhiba, F; Zarrouk, A; Chitra, STo diminish corrosion which leads to structural damages and to implement a green mitigator has induced the usage of aminothiazolyl coumarin derivatives to study mild steel (MS) corrosion using potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), weight loss, atomic force microscopy (AFM), and electron microscopy with energy dispersive spectroscopy (SEM–EDS) spectrometry in acid medium. The results showed that the inhibition efficiency was 90.8% for the least effective inhibitor and 97.1% for the most effective inhibitor at optimal concentration (10 mM). Enhancement of inhibition efficiency in weight loss method and increase in Rp values in impedance and mixed nature of the inhibition in polarization measurement reveals the best inhibition capacity of coumarins over the MS. The coumarins were characterized using FT-IR, NMR and Mass spectroscopy. The adsorption was well fitted with the Langmuir adsorption isotherm model. SEM–EDS and AFM images confirmed the shielding effect of coumarin derivatives through a layer formation on MS against acid medium. The adsorption mechanism of aminothiazolyl coumarin derivatives was further explored by quantum chemical calculations (DFT) and molecular dynamics (MD).Item EXPERIMENTAL AND COMPUTATIONAL APPROACHES ON THE PYRAN DERIVATIVES FOR ACID CORROSION(Elsevier, 2020-10-20) Saranya, J; Benhiba, F; Anusuya, N; Ram, Subbiah; Zarrouk, A; Chitra, SPyran derivatives namely ethyl 2-amino-4-(4-hydroxyphenyl)-6-(p-tolyl)-4H-pyran-3-carboxylate (HP), ethyl 2-amino-4-(4-methoxyphenyl)-6-(p-tolyl)-4H-pyran-3-carboxylate (MP) and ethyl 2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-(p-tolyl)-4H-pyran-3-carboxylate (HDMP) were synthesized and characterized by FTIR and Mass spectroscopy. Weight loss and electrochemical measurements were done to study the corrosion mitigation of mild steel (MS) in 1 M sulphuric acid solution. The inhibition efficiency of the pyran derivatives (HP, MP and HDMP) increased by increasing their concentration to reach respectively a maximum value of 91.6 %, 92.5 % and 95.0 % at 2 mM for HP, MP and HDMP and their adsorption followed Langmuir isotherm. Pyran derivatives act as mixed-type inhibitors which will be known from the polarization measurements. The results of the EIS study suggest that these compounds inhibit corrosion by adsorption mechanism. Surface of the metal with and without inhibitors in acid medium was studied by SEM-EDS, XRD and AFM methods. Quantum chemical studies have been performed for the non-protonated and protonated forms of the inhibitors. The obtained results by MD simulations have revealed that the studied molecules bind onto iron area spontaneously with binding energies of 438.465 kJ/mol, 434.934 kJ/mol, and 456.854 kJ/mol for HP, MP and HDMP respectively.Item COMPARISON OF THE INHIBITION PROPERTY OF QUINOXALINE DERIVATIVE ON MILD STEEL IN 1.5M H2SO4, 3M HCL AND 1M H3PO4(Journal of materials and Environmental Sciences, 2017) Saranya, J; Sounthari, P; Chitra, SCorrosion inhibition of mild steel in 1.5M H2SO4, 3M HCl and 1M H3PO4 was investigated in the absence and presence of different concentrations of quinoxaline derivative namely 2,3-di(furan-2-yl)quinoxaline(FQ). Weight loss, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) measurements were employed. Impedance measurements showed that the charge transfer resistance increased and double layer capacitance decreased with increase in the inhibitor concentration. Potentiodynamic polarization study showed that the inhibitor acted as mixedtype inhibitors in all the three acids.Item POLYAMIDOAMINOEPICHLOROHYDRIN RESIN A NOVEL SYNTHETIC ANTI-CORROSIVE WATER SOLUBLE POLYMER FOR MILD STEEL(Elsevier, 2017-08) Nirmala Devi, G; Saranya, J; Manjubaashini, N; Daniel Thangadurai, T; Selvaraj Mohana, Roopan; Chitra, SA novel polyamidoaminoepichlorohydrin resin was prepared and analyzed using spectroscopy techniques and its anti-corrosion properties were studied and observed. Inhibition efficiency was calculated by impedance spectroscopy, loss in weight and potentiodynamic polarization. Authors inferred results as the inhibitors tested differently are acted as better anti-corrosive agent. The thermodynamic data of activation were determined. The adsorption of resin on the steel surface was calculated according to Langmuir adsorption theory. A surface study was performed using SEM, AFM, FT-IR and XRD. Inhibition mechanism was deduced from concentration and temperature dependence of inhibition efficiency, Langmuir adsorption, SEM and AFM results.Item SYNTHESIS, CHARACTERIZATION AND BIOLOGICAL EVALUATION OF RU(III) MERCAPTOPYRIMIDINE SCHIFF BASE COMPLEXES(Wiley, 2017-03-27) Jone Kirubavathy, S; Saranya, J; Sathya, N; Enoch, I V M V; Mosae Selvakumar, P; Chitra, SA new series of mercaptopyrimidine Ru(III) complexes were synthesized and characterized using various spectral techniques like single-crystal X-ray diffraction, Fourier transform infrared and NMR spectroscopies, thermogravimetric analysis and energy-dispersive X-ray analysis. The complexes were evaluated for their pharmacological activities like in vitro antimicrobial, anticancer, antituberculosis and antioxidant activities. The DNA binding of the complexes was investigated by absorption and emission spectral measurements which indicated that the complexes bind to DNA via intercalation, with molecular docking studies validating the results. DNA cleavage studies of the complexes were carried out.Item SYNTHESIS AND CHARACTERIZATION OF DEXTRIN-BASED POLYMER ELECTROLYTES FOR POTENTIAL APPLICATIONS IN ENERGY STORAGE DEVICES(Springer Link, 2017-05-21) Nirmala Devi, G; Chitra, S; Selvasekarapandian, S; Premalatha, M; Monisha, S; Saranya, JAn attempt has been made to synthesise a new proton conducting polymer electrolyte using the biopolymer dextrin doped with ammonium thiocyanate salts using solution casting technique. The complexation has been studied using X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FT-IR). The differential scanning calorimetry (DSC) thermograms of dextrin with NH4SCN showed that Tg value increases with respect to the increase of NH4SCN concentration. The electrical conductivity was measured using AC impedance analyser which showed that ionic conductivity increases with increase in salt concentration up to 40%. Transference number measurement was carried out to investigate the nature of the charge transport species in the polymer electrolyte. Surface morphology of the electrolytes was determined using scanning electron microscope (SEM) studies, and the chemical composition of the elements present was determined using EDAX. The proton battery was constructed with the highest conducting polymer electrolyte Dex-40%NH4SCN and its open circuit voltage with load were carried out.Item ACENAPHTHO[1,2-B]QUINOXALINE AND ACENAPHTHO[1,2-B]PYRAZINE AS CORROSION INHIBITORS FOR MILD STEEL IN ACID MEDIUM(Elsevier, 2016-01) Saranya, J; Sounthari, P; Parameswari, K; Chitra, SThe corrosion inhibition of mild steel in 1 M H2SO4 using acenaphtho[1,2-b]quinoxaline and acenaphtho[1,2-b]pyrazine at 303–333 K have been investigated. The study was performed using weight loss method, potentiodynamic polarization, and electrochemical impedance spectroscopy (EIS). Polarization measurements proved that the inhibitors behave as mixed-type. EIS data showed that the charge transfer resistance of mild steel increases in acid solution containing inhibitors. The surface morphology was evaluated using scanning electron microscope (SEM), atomic force microscopy (AFM) techniques. Density functional theory (DFT) at the B3LYP/6-311G(d,p) basis set level was performed. Excellent correlation was found between experimental and theoretical results.
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