Browsing by Author "Obot, Ime Bassey"
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Computational, Monte Carlo simulation and experimental studies of some arylazotriazoles (AATR) and their copper complexes in corrosion inhibition process
Madkour, Loutfy H.; Kaya, Savas; Obot, Ime Bassey (ELSEVIER SCIENCE BV, 2018)The inhibition properties of three synthesized 3-(-arylazo)-1, 2, 4-triazole (AATR) derivatives were investigated for copper corrosion in aerated 0.5 M HNO3 acid using potentiodynamic polarization, cyclic voltammetry, and ... -
Determination of corrosion inhibition effects of amino acids: Quantum chemical and molecular dynamic simulation study
Kaya, Savas; Tuzun, Burak; Kaya, Cemal; Obot, Ime Bassey (ELSEVIER SCIENCE BV, 2016)Amino acids are biologically important organic compounds in the human body which contain two important functional groups namely: -NH2 (amine) and -COOH (carboxylic acid) in their structures. In the present work, corrosion ... -
Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms
Guo, Lei; Obot, Ime Bassey; Zheng, Xingwen; Shen, Xun; Qiang, Yujie; Kaya, Savas; Kaya, Cemal (ELSEVIER SCIENCE BV, 2017)Steel is an important material in industry. Adding heterocyclic organic compounds have proved to be very efficient for steel protection. There exists an empirical rule that the general trend in the inhibition efficiencies ... -
Toward understanding the anticorrosive mechanism of some thiourea derivatives for carbon steel corrosion: A combined DFT and molecular dynamics investigation
Guo, Lei; Kaya, Savas; Obot, Ime Bassey; Zheng, Xingwen; Qiang, Yujie (ACADEMIC PRESS INC ELSEVIER SCIENCE, 2017)The mutually corroborated density functional theory (DFT) and molecular dynamics (MD) simulation methodology were employed to evaluate the inhibition performance of three thiourea derivatives (Inhl, Inh2, and Inh3) on ...