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Dispersive adsorption of Xylopia aethiopica constituents on carbon steel in acid-chloride medium: A combined experimental and theoretical approach
Njoku, DI; Li, Y; Lgaz, H; Oguzie, EE; Li, Y (reprint author), Chinese Acad Sci, Inst Met Res, Lab Corros & Protect, 62 Wencui Rd, Shenyang 110016, Liaoning, Peoples R China.
2018
发表期刊JOURNAL OF MOLECULAR LIQUIDS
ISSN0167-7322
卷号249页码:371-388
摘要Ethanol extract of Xylopia aethiopica pod was investigated as a green corrosion inhibitor for the protection of Q235 carbon steel in 0.25 M H2SO4 + 0.5 M NaCI solution using a combined experimental, density functional study (DFT) and molecular dynamic simulations (MDS). The nature of organic species present in the extract was assessed using combined gas chromatography-mass spectrometry (GC-MS) and Fourier transform infrared spectroscopy (FTIR). Gravimetric data showed that the corrosion mitigating efficacy increased with extract concentration but decreased only slightly over prolonged exposure. Electrochemical impedance spectroscopy (EIS) and water contact angle goniometer results revealed, adsorption of organic species from the extract on the steel surface, while potentiodynamic polarization (PDP) results revealed a potential dependent adsorption desorption of the inhibiting species with the potential of unpolarizability around 100 mV versus Ecorr. The physical protective effects of the adsorbed extract constituents were confirmed by various advanced surface microscopy examinations. Density functional theory calculations and molecular dynamics simulations (MDS) were undertaken to describe the electronic and adsorption properties of the individual extract active constituents including the synergistic/dispersive interactive effects of the multiple adsorptions of the various active constituents in the inhibitor film on the iron surface. (C) 2017 Published by Elsevier B.V.; Ethanol extract of Xylopia aethiopica pod was investigated as a green corrosion inhibitor for the protection of Q235 carbon steel in 0.25 M H2SO4 + 0.5 M NaCI solution using a combined experimental, density functional study (DFT) and molecular dynamic simulations (MDS). The nature of organic species present in the extract was assessed using combined gas chromatography-mass spectrometry (GC-MS) and Fourier transform infrared spectroscopy (FTIR). Gravimetric data showed that the corrosion mitigating efficacy increased with extract concentration but decreased only slightly over prolonged exposure. Electrochemical impedance spectroscopy (EIS) and water contact angle goniometer results revealed, adsorption of organic species from the extract on the steel surface, while potentiodynamic polarization (PDP) results revealed a potential dependent adsorption desorption of the inhibiting species with the potential of unpolarizability around 100 mV versus Ecorr. The physical protective effects of the adsorbed extract constituents were confirmed by various advanced surface microscopy examinations. Density functional theory calculations and molecular dynamics simulations (MDS) were undertaken to describe the electronic and adsorption properties of the individual extract active constituents including the synergistic/dispersive interactive effects of the multiple adsorptions of the various active constituents in the inhibitor film on the iron surface. (C) 2017 Published by Elsevier B.V.
部门归属[njoku, demian i. ; li, ying ; oguzie, emeka e.] chinese acad sci, inst met res, lab corros & protect, 62 wencui rd, shenyang 110016, liaoning, peoples r china ; [njoku, demian i.] ucas, 19a yuquan rd, beijing 100049, peoples r china ; [lgaz, hassan] univ ibn tofail, fac sci, lab separat proc, pob 242, kenitra, morocco ; [njoku, demian i. ; oguzie, emeka e.] fed univ technol owerri, dept chem, electrochem & mat sci res lab, pmb 1526, owerri, owerri, nigeria
关键词Materials Protection Corrosion Kola-nitida Extract m Hcl Medium Mild-steel Hydrochloric-acid Sulfuric-acid Natural-products Inhibition Performance Electronic-structure H2so4 Solutions
学科领域Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
资助者Institute of Metal Research, Chinese Academy of Sciences (IMR-CAS); University of Chinese Academy of Sciences (UCAS); National Natural Science Foundation of China-International Cooperation and Exchange Program [2015PT005]
收录类别SCI
语种英语
文献类型期刊论文
条目标识符http://ir.imr.ac.cn/handle/321006/79604
专题中国科学院金属研究所
通讯作者Li, Y (reprint author), Chinese Acad Sci, Inst Met Res, Lab Corros & Protect, 62 Wencui Rd, Shenyang 110016, Liaoning, Peoples R China.
推荐引用方式
GB/T 7714
Njoku, DI,Li, Y,Lgaz, H,et al. Dispersive adsorption of Xylopia aethiopica constituents on carbon steel in acid-chloride medium: A combined experimental and theoretical approach[J]. JOURNAL OF MOLECULAR LIQUIDS,2018,249:371-388.
APA Njoku, DI,Li, Y,Lgaz, H,Oguzie, EE,&Li, Y .(2018).Dispersive adsorption of Xylopia aethiopica constituents on carbon steel in acid-chloride medium: A combined experimental and theoretical approach.JOURNAL OF MOLECULAR LIQUIDS,249,371-388.
MLA Njoku, DI,et al."Dispersive adsorption of Xylopia aethiopica constituents on carbon steel in acid-chloride medium: A combined experimental and theoretical approach".JOURNAL OF MOLECULAR LIQUIDS 249(2018):371-388.
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