期刊
JOURNAL OF MOLECULAR LIQUIDS
卷 298, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.molliq.2019.111943
关键词
Oil well acidization; Acid pickling; Corrosin inhibitor; Mild steel; MD simulation
资金
- North-West University (Mafikeng Campus) South Africa
Four industrially relevant pyrazole derivatives (PYRs) differing in their nature of substituents were synthesized by an eco-friendly one-pot multicomponent reaction (MCR), and their acid corrosion inhibition was studied for mild steel using experimental and computational approaches. Results revealed that the inhibition capability of PYRs was substituent-and concentration-dependent. Even though the efficiency increases in the existence of both the electron-withdrawing and the electron-releasing substituents, the best inhibition efficiency was achieved in the presence of electron releasing (-OH, -OHOCH3) groups. The inhibition efficiency of the studied PYRs followed the order: PYR-OHOCH3 (94.88%) > PYR-OH (91.47%) > PYR-NO2 (90.90%) > PYR-H (89.77%). Electrochemical studies suggested that PYRs functioned as mixed-type inhibitors and their adsorption obeyed the Langmuir isotherm. The interactions between PYRs and metallic surface were explained using DFT and MD simulations, and correlated with the experimental results. (C) 2019 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据