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    Electrochemical and Computational Investigations on the Corrosion Inhibition of X65 Steel by 2-Phenylbenzimidazole in H2SO4 Solution
    (Esg, 2020) Tan, Jianhong; Guo, Lei; Wu, Dan; Duan, Xuejing; Leng, Senlin; Obot, Ime Bassey; Kaya, Savas
    In this work, we studied 2-phenylbenzimidazole (PBI) as a corrosion inhibitor for X65 steel in H2SO4 medium. The inhibition performance of PBI for X65 steel were studied using weight loss, electrochemical experiments, surface analysis and computational modelings. The results indicate that PBI has a superior anti-corrosion performance and belongs to modest cathodic-type corrosion inhibitor. The adsorption behavior of PBI molecule on steel conforms to Langmuir adsorption model. The adsorption type is a combination of physical and chemical adsorption. SEM morphology analysis can prove inhibition performance of PBI. DFT calculation and molecular dynamics simulations have revealed active adsorption sites and adsorption configuration of PBI molecule on Fe substrate.
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    Multidimensional insights into the corrosion inhibition of 3,3-dithiodipropionic acid on Q235 steel in H2SO4 medium: A combined experimental and in silico investigation
    (Academic Press Inc Elsevier Science, 2020) Guo, Lei; Tan, Jianhong; Kaya, Savas; Leng, Senlin; Li, Qingbiao; Zhang, Fan
    3,3-Dithiodipropionic acid (DDA) as a potential corrosion inhibitor for Q235 steel in 0.5 M H2SO4 solution was examined. A variety of research approaches including electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), scanning electron microscopy (SEM), atomic force microscopy (AFM), and computational techniques were employed. The toxicity and solubility of DAA were reasonably assessed. Its inhibition efficiency can reach approximately 93% when the optimal concentration is 5 mM. The results of PDP curves manifest that DDA is a mixed type corrosion inhibitor. EIS data indicate that the charge transfer resistance increases with increasing concentration of DDA. Gibbs free energy obtained from the Langmuir isotherm model suggests that DDA molecules hinder the acid attack mainly by chemisorption. Surface topography analysis strongly confirmed the electrochemical findings. Moreover, the simulation results based on density functional theory (DFT) calculation and molecular dynamics (MD) simulations supported the successful interfacial adsorption of DDA on Fe(1 1 0) surface. (C) 2020 Elsevier Inc. All rights reserved.
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    Triblock Copolymer Pluronic F68 as a Corrosion Inhibitor for Aluminum-air Battery: An Electrochemical and in Silico Study
    (Esg, 2019) Guo, Lei; Tan, Jianhong; Yang, Hong; El Bakri, Youness; Kaya, Savas; Leng, Senlin; Yang, Yingchang
    In Al-air batteries, the self-corrosion of aluminum electrodes is an issue worthy of concern. In this paper, the inhibition performance and anti-corrosion mechanism of a triblock copolymer, namely, Pluronic F68, on Al in 3.5% NaCl electrolyte are investigated with a multidimension approach combining electrochemical and theoretical approaches. The results suggest that Pluronic F68 inhibitor can present wonderful anticorrosion efficiency, and the maximum inhibition efficiency can reach 94% at low dose concentration. Meanwhile, the battery containing Pluronic F68 exhibits better performance. Significantly, the present work is beneficial to understand the inhibition mechanism of similar organic polymers and provides a feasible approach to develop Al-air batteries.