Experimental and theoretical study of corrosion inhibition performance of N-phenylthiourea for mild steel in hydrochloric acid and sodium chloride solution

The corrosion inhibition performance of N-phenylthiourea for mild steel in solutions of 1.0 M hydrochloric and 3.5% wt. sodium chloride was investigated using tandem potentiodynamic polarization curves, scanning electron microscope analysis and quantum chemical calculations. The inhibition efficienc...

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Veröffentlicht in:Journal of molecular modeling 2019-07, Vol.25 (7), p.204-15, Article 204
Hauptverfasser: Huong, Dinh Quy, Duong, Tran, Nam, Pham Cam
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description The corrosion inhibition performance of N-phenylthiourea for mild steel in solutions of 1.0 M hydrochloric and 3.5% wt. sodium chloride was investigated using tandem potentiodynamic polarization curves, scanning electron microscope analysis and quantum chemical calculations. The inhibition efficiency values of N-phenylthiourea in acidic solution and in salt solution were 94.95% and 55.70%, respectively. The results show that the corrosion inhibitor ability of N-phenylthiourea was better than that of urotropine under the same conditions. The adsorption of N-phenylthiourea on the mild steel electrode surface obeys the Langmuir adsorption isotherm in acidic solution and modified Langmuir adsorption isotherm in salt solution. The results of quantum chemical calculations and molecular dynamics simulations were found to be in accord with experimental data. Graphical abstract Corrosion inhibition performance of N-phenylthiourea for mild steel in hydrochloric acid and sodium chloride solution Figure A contains poor quality and small text inside the artwork. Please do not re-use the file that we have rejected or attempt to increase its resolution and re-save. It is originally poor, therefore, increasing the resolution will not solve the quality problem. We suggest that you provide us the original format. We prefer replacement figures containing vector/editable objects rather than embedded images. Preferred file formats are eps, ai, tiff and pdf.Figure A now has been prepared. The font size of text is increased except for the SEM image.
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The inhibition efficiency values of N-phenylthiourea in acidic solution and in salt solution were 94.95% and 55.70%, respectively. The results show that the corrosion inhibitor ability of N-phenylthiourea was better than that of urotropine under the same conditions. The adsorption of N-phenylthiourea on the mild steel electrode surface obeys the Langmuir adsorption isotherm in acidic solution and modified Langmuir adsorption isotherm in salt solution. The results of quantum chemical calculations and molecular dynamics simulations were found to be in accord with experimental data. Graphical abstract Corrosion inhibition performance of N-phenylthiourea for mild steel in hydrochloric acid and sodium chloride solution Figure A contains poor quality and small text inside the artwork. Please do not re-use the file that we have rejected or attempt to increase its resolution and re-save. It is originally poor, therefore, increasing the resolution will not solve the quality problem. 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subjects Adsorption
Characterization and Evaluation of Materials
Chemistry
Chemistry and Materials Science
Computer Appl. in Life Sciences
Computer Applications in Chemistry
Corrosion
Corrosion inhibitors
Corrosion tests
Hydrochloric acid
Isotherms
Low carbon steels
Mathematical analysis
Molecular dynamics
Molecular Medicine
Organic chemistry
Original Paper
Phenylthiourea
Quantum chemistry
Saline solutions
Sodium chloride
Theoretical and Computational Chemistry
title Experimental and theoretical study of corrosion inhibition performance of N-phenylthiourea for mild steel in hydrochloric acid and sodium chloride solution
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