材料科学技术(英文版)2021,Vol.72Issue(13) :202-216.

Anti-corrosive mechanism of poly (N-ethylaniline)/sodium silicate electrochemical composites for copper: Correlated experimental and in-silico studies

Hao Liu Baomin Fan Guifeng Fan Yucong Ma Hua Hao Wen Zhang
材料科学技术(英文版)2021,Vol.72Issue(13) :202-216.

Anti-corrosive mechanism of poly (N-ethylaniline)/sodium silicate electrochemical composites for copper: Correlated experimental and in-silico studies

Hao Liu 1Baomin Fan 1Guifeng Fan 1Yucong Ma 1Hua Hao 2Wen Zhang3
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作者信息

  • 1. College of Chemistry and Materials Engineering, Beijing Technology and Business University, Beijing 100048, China
  • 2. Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China
  • 3. College of Biology and Environmental Engineering, Zhejiang Shuren University, Hangzhou 310015, China
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Abstract

Poly (N-ethylaniline) (PNEA) composites with varying silicate content were fabricated on copper through a novel electropolymerized strategy in acidic solution.Thickness,compactness,conductivity and adhesive strength of the composite (PNEA-10Si) were optimized as silicate content reached 10 mM.Electrochemical,morphological and solution analyses were employed to evaluate the protective performance of PNEA and PNEA-10Si coatings for copper in 3.5 % NaCl solution.Results of electrochemical analyses indicated that as-prepared coatings retarded the oxygen reduction process efficiently for copper in 3.5 % NaCl solution,drained corrosion current density and elevated interfacial charge transfer resistance.Due to favorable barrier effect,compact structure and low porosity index,PNEA-10Si composite exhibited superior anti-corrosive performance,which was more tolerant than PNEA during long-time immersion.PNEA-10Si coated sample exhibited a stable topography after 144 h immersion with the minimum concentration of released ions revealing the improved protection capacity.Electronic/atomic-multiscale calculations were conducted to clarify the deposition and protection mechanism of as-prepared coatings.Outcomes of density functional theory corroborated that silicate is stabilized in the PNEA layer via electrostatic force;and immobile silicate positively contributed to the charge transfer barrier of the composite.Molecular dynamics simulations evidenced that the favorable compatibility between PNEA and silicate facilitated polymer deposition and confined in-situ ions diffusion.

Key words

Electrochemical deposition/Composite coating/Anti-corrosion/Density-functional theory/Molecular dynamic simulation

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基金项目

This work was financially supported by the Beijing Municipal Natural Science Foundation(2192016)

National Natural Science Foundation of China(21606005)

Support Project of High-level Teachers in Beijing Municipal Universities in the Period of 13th Five-year Plan(CIT&TCD201904042)

出版年

2021
材料科学技术(英文版)
中国金属学会 中国材料研究学会 中国科学院金属研究所

材料科学技术(英文版)

CSTPCDCSCDSCI
影响因子:0.657
ISSN:1005-0302
被引量1
参考文献量63
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