Insights into the inhibition mechanism of a novel supramolecular complex towards the corrosion of mild steel in the condensate water: experimental and theoretical studies
文献类型：期刊论文
| 作者 | Fan, Baomin1; Hao, Hua2; Yang, Biao1; Li, Yun1 |
| 刊名 | RESEARCH ON CHEMICAL INTERMEDIATES
 |
| 出版日期 | 2018-10-01 |
| 卷号 | 44期号:10页码:5711-5736 |
| 关键词 | Cyclodextrin Octadecylamine Supramolecular Chemistry Condensate Water Mild Steel |
| ISSN号 | 0922-6168 |
| DOI | 10.1007/s11164-018-3451-8 |
| 英文摘要 | A supramolecular complex (HPDA) based on (2-hydroxypropyl)--cyclodextrin (HP--CD) and octadecylamine (ODA) exhibited a favourable inhibiting effect on the corrosion of mild steel (MS) in the condensate water. The structural properties of HPDA, including the apparent association constant () and the optimal spatial configuration, were clarified using phase solubility simulation and molecular mechanics calculations. The results indicated that HPDA was fairly stable in water with a value of 9199mol(-1), and its four possible configurations might coexist. The corrosion inhibition effect of HPDA was collectively evaluated by both experimental and theoretical methods. Weight loss measurements showed that the inhibition efficiency of HPDA depended on the concentration and temperature, and the maximum value could reach 92.6% with 50mgL(-1) concentration at 313K. The potentiodynamic polarization tests showed that HPDA was a mixed type inhibitor with a predominantly anodic type. Also, the polarization resistance was effectively enhanced in the presence of HPDA according to the results of electrochemical impedance spectroscopy. Adsorption experiments revealed that HPDA inhibited the corrosion of MS by a chemisorption mechanism, which was well described by the Langmuir model. Surface analyses based on X-ray photoelectron spectroscopy and Auger electron spectroscopy disclosed that the chemisorption of HPDA on the MS surface resulted from the self-assembly of guest molecules (ODA) with a tilted orientation. In addition, an apparent connection was ascertained between the adsorption measurements and the theoretical parameters (Mulliken charges and molecular electrostatic potential plot) using quantum chemical calculations. |
| 语种 | 英语 |
| WOS记录号 | WOS:000444600400002 |
| 出版者 | SPRINGER |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/43059]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Fan, Baomin |
| 作者单位 | 1.Beijing Technol & Business Univ, Dept Mat Sci & Engn, Beijing 100048, Peoples R China 2.Chinese Acad Sci, Inst Chem, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Fan, Baomin,Hao, Hua,Yang, Biao,et al. Insights into the inhibition mechanism of a novel supramolecular complex towards the corrosion of mild steel in the condensate water: experimental and theoretical studies[J]. RESEARCH ON CHEMICAL INTERMEDIATES,2018,44(10):5711-5736. |
| APA | Fan, Baomin,Hao, Hua,Yang, Biao,&Li, Yun.(2018).Insights into the inhibition mechanism of a novel supramolecular complex towards the corrosion of mild steel in the condensate water: experimental and theoretical studies.RESEARCH ON CHEMICAL INTERMEDIATES,44(10),5711-5736. |
| MLA | Fan, Baomin,et al."Insights into the inhibition mechanism of a novel supramolecular complex towards the corrosion of mild steel in the condensate water: experimental and theoretical studies".RESEARCH ON CHEMICAL INTERMEDIATES 44.10(2018):5711-5736. |
入库方式： OAI收割
来源：化学研究所
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