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 Pivotal Role of Heteroatoms in Improving the Corrosion Inhibition Ability of Thiourea Derivatives (SCIE)
Tác giả hoặc Nhóm tác giả: Dinh Quy HuongDinh Quy Huong, Nguyen Thi Lan Huong, Tran Thi Anh Nguyet, Tran Duong, Dinh Tuan, Nguyen Minh Thong, and Pham Cam Nam*
Nơi đăng: ACS Omega; Số: 5(42);Từ->đến trang: 27655–27666;Năm: 2020
Lĩnh vực: Chưa xác định; Loại: Bài báo khoa học; Thể loại: Quốc tế
TÓM TẮT
1,3-Diphenyl-2-thiourea (DPTU) and 1-phenyl-3-(2-pyridyl)-2-thiourea (PPTU) were selected as the researched subject for investigating the effect of heteroatoms on the low carbon steel corrosion inhibition ability. Results from the potentiodynamic polarization measurements (PPM) indicate that the addition of a nitrogen atom in the benzene ring increases the corrosion inhibition efficiency of PPTU (97.2%), being higher than that of DPTU (93.1%) at the same condition of 2.0 × 10–4 M at 30 °C. The Nyquist diagrams show that increasing the concentrations of both DPTU and PPTU will enhance the charge-transfer resistance and reduce the double-layer capacitance. The obtained data based on PPM and electrochemical impedance spectroscopy methods are in accordance to the analysis based on the scanning electrochemical microscopy images. Besides, results from quantum chemical calculations prove that the heteroatoms in the inhibitor molecules are the adsorption centers, and the benzene rings increase the electrostatic interaction between the inhibitor molecules and the steel surface. Results from Monte Carlo and molecular dynamics simulation have clarified the adsorption mechanism of DPTU and PPTU on the steel surface. Adsorption energies confirm that PPTU displays the higher inhibition ability as compared with DPTU.
ABSTRACT
1,3-Diphenyl-2-thiourea (DPTU) and 1-phenyl-3-(2-pyridyl)-2-thiourea (PPTU) were selected as the researched subject for investigating the effect of heteroatoms on the low carbon steel corrosion inhibition ability. Results from the potentiodynamic polarization measurements (PPM) indicate that the addition of a nitrogen atom in the benzene ring increases the corrosion inhibition efficiency of PPTU (97.2%), being higher than that of DPTU (93.1%) at the same condition of 2.0 × 10–4 M at 30 °C. The Nyquist diagrams show that increasing the concentrations of both DPTU and PPTU will enhance the charge-transfer resistance and reduce the double-layer capacitance. The obtained data based on PPM and electrochemical impedance spectroscopy methods are in accordance to the analysis based on the scanning electrochemical microscopy images. Besides, results from quantum chemical calculations prove that the heteroatoms in the inhibitor molecules are the adsorption centers, and the benzene rings increase the electrostatic interaction between the inhibitor molecules and the steel surface. Results from Monte Carlo and molecular dynamics simulation have clarified the adsorption mechanism of DPTU and PPTU on the steel surface. Adsorption energies confirm that PPTU displays the higher inhibition ability as compared with DPTU.
[ acsomega.0c04241.pdf ]
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