Adsorption and anticorrosive behavior of aromatic epoxy monomers on carbon steel corrosion in acidic solution: computational studies and sustained experimental studies

作者: Omar Dagdag , Zaki Safi , Hamid Erramli , Omar Cherkaoui , Nuha Wazzan

DOI: 10.1039/C9RA01672D

关键词:

摘要: Herein, the synthesis, characterization and corrosion inhibition effectiveness of two aromatic epoxy monomers (AEMs) namely, 2-(oxiran-2-yl-methoxy)-N,N-bis(oxiran-2-yl-methyl)aniline (AEM1) N,N-bis(oxiran-2-ylmethyl)-2-((oxiran-2-ylmethyl) thio)aniline (AEM2), in carbon steel corrosive dissolution 1 M HCl solution is investigated using computational experimental techniques. AEM1 AEM2 were characterized FT-IR, 1H NMR 13C spectroscopy Electrochemical results demonstrated that AEMs act as reasonably good inhibitors for medium their followed sequence: (95.4%) > (94.3%). A PDP study showed mixed-type with slight anodic predominance. Adsorption obeyed Langmuir isotherm model. Interactions between metallic surface was further studied DFT MD simulations give several parameters such I, A, EHOMO, ELUMO, ΔE, δ, χ, ρ, σ, η, ΔN Eads. The agreement well complimented each other.

参考文章(82)
B. Hammouti, A. Dafali, R. Touzani, M. Bouachrine, Inhibition of copper corrosion by bipyrazole compound in aerated 3% NaCl Journal of Saudi Chemical Society. ,vol. 16, pp. 413- 418 ,(2012) , 10.1016/J.JSCS.2011.02.009
Nuha Ahmed Wazzan, Fatma Mohamed Mahgoub, DFT Calculations for Corrosion Inhibition of Ferrous Alloys by Pyrazolopyrimidine Derivatives Open Journal of Physical Chemistry. ,vol. 2014, pp. 6- 14 ,(2014) , 10.4236/OJPC.2014.41002
Shuwei Xia, Meng Qiu, Liangmin Yu, Fuguo Liu, Haizhou Zhao, Molecular dynamics and density functional theory study on relationship between structure of imidazoline derivatives and inhibition performance Corrosion Science. ,vol. 50, pp. 2021- 2029 ,(2008) , 10.1016/J.CORSCI.2008.04.021
Fan Zhang, Yongming Tang, Ziyi Cao, Wenheng Jing, Zhenglei Wu, Yizhong Chen, None, Performance and theoretical study on corrosion inhibition of 2-(4-pyridyl)-benzimidazole for mild steel in hydrochloric acid Corrosion Science. ,vol. 61, pp. 1- 9 ,(2012) , 10.1016/J.CORSCI.2012.03.045
Robert G. Parr, Ralph G. Pearson, Absolute hardness: companion parameter to absolute electronegativity Journal of the American Chemical Society. ,vol. 105, pp. 7512- 7516 ,(1983) , 10.1021/JA00364A005
Shuduan Deng, Xianghong Li, Xiaoguang Xie, Hydroxymethyl urea and 1,3-bis(hydroxymethyl) urea as corrosion inhibitors for steel in HCl solution Corrosion Science. ,vol. 80, pp. 276- 289 ,(2014) , 10.1016/J.CORSCI.2013.11.041
R. K. Roy, S. Krishnamurti, P. Geerlings, S. Pal, Local Softness and Hardness Based Reactivity Descriptors for Predicting Intra- and Intermolecular Reactivity Sequences: Carbonyl Compounds Journal of Physical Chemistry A. ,vol. 102, pp. 3746- 3755 ,(1998) , 10.1021/JP973450V