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Theoretical, thermodynamic and electrochemical analysis of biotin drug as an impending corrosion inhibitor for mild steel in 15% hydrochloric acid.

ABSTRACT: The corrosion mitigation efficiency of biotin drug for mild steel in 15% hydrochloric acid was thoroughly investigated by weight loss and electrochemical methods. The surface morphology was studied by the contact angle, scanning electrochemical microscopy, atomic force microscopy and scanning electron microscopy methods. Quantum chemical calculation and Fukui analysis were done to correlate the experimental and theoretical data. The influence of the concentration of inhibitor, immersion time, temperature, activation energy, enthalpy and entropy has been reported. The mitigation efficiency of biotin obtained by all methods was in good correlation with each other. Polarization studies revealed that biotin acted as a mixed inhibitor. The adsorption of biotin was found to obey the Langmuir adsorption isotherm. Surface studies showed the hydrophobic nature of the steel with inhibitor and vindicated the formation of a film on the metal surface that reduced the corrosion rate.

SUBMITTER: Xu X

PROVIDER: S-EPMC5750002 | biostudies-literature | 2017 Dec

REPOSITORIES: biostudies-literature

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Theoretical, thermodynamic and electrochemical analysis of biotin drug as an impending corrosion inhibitor for mild steel in 15% hydrochloric acid.

Xu Xihua X Singh Ambrish A Sun Zhipeng Z Ansari K R KR Lin Yuanhua Y

Royal Society open science 20171206 12

The corrosion mitigation efficiency of biotin drug for mild steel in 15% hydrochloric acid was thoroughly investigated by weight loss and electrochemical methods. The surface morphology was studied by the contact angle, scanning electrochemical microscopy, atomic force microscopy and scanning electron microscopy methods. Quantum chemical calculation and Fukui analysis were done to correlate the experimental and theoretical data. The influence of the concentration of inhibitor, immersion time, te ...[more]

PMID: 29308235

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Project description:Metal corrosion is an important economic problem globally. One of the best ways to protect metal surfaces from corrosion is by the use of corrosion inhibitors, especially surfactants. This study assesses anticorrosion properties of three inhibitor compounds (S1, S2, and S3) of ethoxylate sulfanilamide containing 2, 10, and 20 units of ethylene oxide on carbon steel in 1 M HCl solution. The anticorrosive performance of S1, S2, and S3 was studied using potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), adsorption isotherm, surface tests (scanning electron microscopy (SEM), energy-dispersive X-ray (EDX) spectroscopy, and X-ray diffraction (XRD) analysis), and computational studies (density functional theory (DFT) and molecular dynamics (MD) simulations) within the concentration range of 10-6 to 10-2 M at 30 ± 2 °C. The results of the methods used indicate that increasing the concentration of the inhibitor compounds improves the effectiveness of inhibition (from 50.9 to 98%), whereas the inhibition efficiency order for ethoxylated sulfanilamide compounds is S2 > S3 > S1 with the highest inhibiting efficiency, respectively, of 98.0, 95.0, and 90.0% for 10-2 M. Also, PDP indicated that S1, S2, and S3 inhibitors act as mixed-type inhibitors and their adsorption obeys the Langmuir adsorption isotherm model. Surface tests show that the studied compounds can significantly inhibit acid attack via chemical adsorption on the metal. Furthermore, all of the chemical descriptors derived from DFT indicate that the three inhibitors are quite well adsorbed by the adhesion centers on the CS surface. The three compounds' molecular geometries and electronic structures were calculated using quantum chemical calculations. Using theoretical computations, the energy difference between the highest occupied molecular orbital and the lowest occupied molecular orbital has been determined to represent chemical reactivity and kinetic stability of a composition.

Dataset Information

Theoretical, thermodynamic and electrochemical analysis of biotin drug as an impending corrosion inhibitor for mild steel in 15% hydrochloric acid.

Publications

Theoretical, thermodynamic and electrochemical analysis of biotin drug as an impending corrosion inhibitor for mild steel in 15% hydrochloric acid.

Similar Datasets

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