Guo Yinyin, Xue Juanqin, Bi Qiang, Li Yuqing, Zhang Juantao, Ren Kang, Liu Hu, Tang Changbin, Zhang Binwei
School of Metallurgical Engineering, Xi'an University of Architecture and Technology, Xi'an 710055, China.
School of Chemistry and Chemical Engineering, Xi'an University of Architecture and Technology, Xi'an 710055, China.
ACS Omega. 2025 Jun 23;10(26):27976-27991. doi: 10.1021/acsomega.5c01546. eCollection 2025 Jul 8.
The inhibitory effect of 1-hexadecyl-2,3-dimethylimidazole hexafluorophosphate ([CDMIM][PF]) on carbon steel was investigated in both 1 M hydrochloric acid (HCl) and 1 M sulfuric acid (HSO) solutions. The thermodynamic and kinetic corrosion parameters were calculated through weight loss and electrochemical measurements. The results showed that the addition of 0.05 mmol/L [CDMIM][PF] resulted in an inhibition efficiency of 98.28% and 80.10% in 1 M HCl and 1 M HSO at 363 K, respectively. The adsorption of [CDMIM][PF] obeyed the Langmuir adsorption isotherm, presenting a competition between physical and chemical interactions in the HSO solution, while it was chemisorption in the HCl solution. Surface analysis techniques (SEM) demonstrated that the inhibitor could form a protective film on the carbon steel surface. Molecular dynamics simulations were utilized to determine the interaction of the [CDMIM][PF] molecule with HSO and HCl on the Fe(110) surface, and the adsorption energies of the inhibitor in both acid solutions were determined. The simulation results were in close agreement with the experimental results, and due to the adsorption energy in the HCl solution, the inhibition efficiency of the HCl solution was superior to that in the HSO solution. These results demonstrate that [CDMIM][PF] can be a sustainable, less hazardous corrosion inhibitor for carbon steel in acid solutions.
在1 M盐酸（HCl）和1 M硫酸（H₂SO₄）溶液中研究了1-十六烷基-2,3-二甲基咪唑六氟磷酸盐（[CDMIM][PF₆]）对碳钢的缓蚀作用。通过失重和电化学测量计算了热力学和动力学腐蚀参数。结果表明，在363 K下，添加0.05 mmol/L的[CDMIM][PF₆]在1 M HCl和1 M H₂SO₄中缓蚀效率分别为98.28%和80.10%。[CDMIM][PF₆]的吸附符合Langmuir吸附等温线，在H₂SO₄溶液中存在物理和化学相互作用之间的竞争，而在HCl溶液中为化学吸附。表面分析技术（SEM）表明，该缓蚀剂可在碳钢表面形成保护膜。利用分子动力学模拟确定了[CDMIM][PF₆]分子与Fe(110)表面上的H₂SO₄和HCl的相互作用，并确定了缓蚀剂在两种酸溶液中的吸附能。模拟结果与实验结果密切吻合，且由于HCl溶液中的吸附能，HCl溶液的缓蚀效率优于H₂SO₄溶液。这些结果表明，[CDMIM][PF₆]可以成为酸溶液中碳钢可持续、危害较小的缓蚀剂。
