Accurate clarification on assembling and protective mechanisms of β-cyclodextrin/benzothiazole complex for copper in marine environment

被引：14

作者：

Chen, Ganggang ^{[1
]}

Liu, Yuxin ^{[1
]}

Fan, Baomin ^{[1
]}

Liu, Zining ^{[1
]}

Zhao, Jingmao ^{[2
]}

Fu, Zongqiang ^{[3
]}

机构：

[1] Beijing Technol & Business Univ, Coll Chem & Mat Engn, Beijing 100048, Peoples R China

[2] Beijing Univ Chem Technol, Coll Mat Sci & Engn, Beijing 100029, Peoples R China

[3] Beijing Technol & Business Univ, Sch Artificial Intelligence, Beijing 100048, Peoples R China

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2024年 / 394卷

基金：

中国国家自然科学基金; 北京市自然科学基金;

关键词：

beta-Cyclodextrin; Benzothiazole; Host-guest assembling; Density functional theory; Corrosion inhibition; CORROSION-INHIBITORS; SURFACE;

D O I：

10.1016/j.molliq.2023.123764

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Molecular assembly based on cyclodextrins can realize the aqueous utilization of inherently-insoluble corrosion inhibitors for metals; however, the associated protection mechanism is not yet fully understood. Herein, hydrophobic benzothiazole (BT) was assembled with beta-cyclodextrin (beta-CD) forming the complex (CD-BT) for protecting copper in the simulated seawater (SSW). Supramolecular complexing was optimized through response surface methodology, and the host-guest interaction was confirmed by spectral, thermal and morphological examinations besides the disclosed assembling thermodynamics. Electrochemical and surface analyses indicated that CD-BT effectively suppressed copper dissolution in SSW yielding a maximum inhibition efficiency of 97.0%. Density functional theory (DFT) calculations were deployed to clarify the accurate complexing behavior of BT inward beta-CD's cavity. Benefitting from the favorable incorporating configuration of BT and its overwhelming adsorption energy over the assembling counterpart, CD-BT underwent an incubation-guest release-adsorption process at the copper/SSW interface. Adsorption of released BT molecules and its chelation ability towards cuprous/cupric species accounted for the efficient protection of copper in SSW.

引用

页数：15

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