当前位置: X-MOL 学术New J. Chem. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Highly effective inhibition of mild steel corrosion in HCl solution by using pyrido[1,2-a]benzimidazoles
New Journal of Chemistry ( IF 3.3 ) Pub Date : 2018-11-20 00:00:00 , DOI: 10.1039/c8nj04028a
Weiwei Zhang 1, 2, 3 , Hui-Jing Li 1, 2, 3 , Meirong Wang 2, 3, 4 , Li-Juan Wang 2, 3, 4 , Ai-Han Zhang 1, 2, 3 , Yan-Chao Wu 1, 2, 3
Affiliation  

The inhibition performance of three pyrido[1,2-a]benzimidazoles, namely, benzo[4,5]imidazo[1,2-a]pyridine (BIP), 2-methylbenzo[4,5]imidazo[1,2-a]pyridine (MBIP), and 2-(trifluoromethyl)benzo[4,5]imidazo[1,2-a]pyridine (TBIP), for steel corrosion in hydrochloric acid solution were researched through a weight loss test, electrochemical techniques, surface morphology (SEM, XPS) studies, and theoretical methods. The experimental results revealed that TBIP, BIP, and MBIP had excellent inhibition performance, and their maximum inhibition efficiencies at 0.25 mmol L−1 were 95.48%, 97.65%, and 98.96%, respectively. The properties of these inhibitors are considered to be mixed-type, and their adsorption mode belongs to the Langmuir isothermal type. The formation and properties of an adsorbed film on a steel surface were investigated using scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). Quantum chemical calculations provided insightful quantitative information to conclude the correlation between the molecular structures and inhibition performance. Molecular dynamics (MD) simulations were carried out to explore the configurationally adsorption behavior of these pyrido[1,2-a]benzimidazoles on Fe(110) surface, and the binding energy of these three inhibitors followed the order MBIP > BIP > TBIP, which is consistent with the experimental evaluation results.

中文翻译:

吡啶并[1,2- a ]苯并咪唑类 化合物可有效抑制HCl溶液中的低碳钢腐蚀

三种吡啶并[1,2- a ]苯并咪唑的抑制性能,即苯并[4,5]咪唑并[1,2- a ]吡啶(BIP),2-甲基苯并[4,5]咪唑并[1,2-通过失重试验,电化学技术,研究了用于盐酸溶液中钢腐蚀的α ]吡啶(MBIP)和2-(三氟甲基)苯并[4,5]咪唑并[1,2- a ]吡啶(TBIP)。表面形态学(SEM,XPS)研究和理论方法。实验结果表明,TBIP,BIP和MBIP具有优异的抑制性能,在0.25 mmol L -1时具有最大的抑制效率。分别为95.48%,97.65%和98.96%。这些抑制剂的性质被认为是混合型的,它们的吸附模式属于Langmuir等温型。使用扫描电子显微镜(SEM)和X射线光电子能谱(XPS)研究了钢表面吸附膜的形成和性能。量子化学计算提供了有见地的定量信息,以推断分子结构与抑制性能之间的相关性。进行了分子动力学(MD)模拟,以探索这些吡啶基[1,2- a]的构型吸附行为Fe(110)表面的]苯并咪唑和这三种抑制剂的结合能遵循MBIP> BIP> TBIP的顺序,这与实验评估结果一致。
更新日期:2018-11-20
down
wechat
bug