ChemistrySelect
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2026
·Vol. 11
·期 36
·e74557
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IF 2.3
Xiaowei Zhou,Yuerong Wang,Youqing Sun,Dan Liu,Thabo T. I. Nkambule,Alex T. Kuvarega,Bhekie B. Mamba,Jianzhou Gui
In this study, a series of Ionic liquid-derived carbon dots (IL-CDs) were synthesized by microwave method from L-histidine and imidazolium-based ILs included 1-butyl-3-methylimidazolium chloride, 1-hexyl-3-methylimidazolium chloride and 1-decyl-3-methylimidazolium chloride. Their structures were elucidated using Fourier transform infrared spectroscopy (FTIR), Ultraviolet–visible spectrum (UV–vis), and nuclear magnetic resonance (NMR). The inhibition efficacy of IL-CDs on 45# steel within a 298 K, 1 M HCl solution system was investigated employing various techniques, including electrochemical analysis, weight loss measurement, scanning electron microscopy (SEM), atomic force microscopy (AFM), and molecular dynamics simulations. The microstructure and surface properties IL-CDs were obtained through a series of characterizations; and their corrosion inhibition performance for 45# steel was evaluated using weight loss and electrochemical methods in 1 M HCl solution. The electrochemical impedance spectroscopy (EIS) results showed that the corrosion inhibition efficiency of CDs in 1 M HCl solution could reach 98.2% at a concentration of 15 ppm, and 95% even at an increased temperature of 313 K. The strong adsorption of IL-CDs follows the Langmuir adsorption model, and the Gibbs free energy increases with the chain length of ionic liquids. The adsorption behavior of the IL-CDs on the carbon steel surface shows the chemisorption feature. Graphical The corrosion inhibition mechanism involves carbon dots that adsorb on the surface of carbon steel to form a hydrophobic film, which suppresses hydrogen evolution at the cathode and oxidation reactions at the anode.
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DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2020
·
IF 5.065
Meng Li,Yuanyong Ouyang,Wenzhong Yang,Yun Chen,Kegui Zhang,Zhaoshun Zuo,Xiaoshuang Yin,Ying Liu
This work tests the anti-corrosion ability of three imidazolium-based ionic liquids with different anions—bis(fluorosulfon)imide ([FSI] − ), bis(trifluoromethylsulfonyl)imide ([NTF 2 ] − ) and bis(pentafluoroethylsulfon)imide ([BETI] − )—on carbon steels in 1 M HCl solution at 298 K. Electrochemical impedance spectroscopy (EIS) indicated that increasing the number of –CF 2 groups in the anion vastly enhanced the corrosion-inhibition efficiency ( η ). Even at small concentrations (1.25 mM), [(OHC 2 )MIm][BETI] achieved an η of 86%. The polarisation curve verified that [(OHC 2 )MIm][BETI] acted as a mixed-type inhibitor and that its adsorption followed the EI-Away adsorption model. Scanning electron microscope (SEM) imaging intuitively confirmed the superior inhibition performance of [(OHC 2 )MIm][BETI]. X-ray photoelectron spectroscopy (XPS) showed that [(OHC 2 )MIm][BETI] was stably absorbed on the carbon-steel surface. Contact angle measurements indicated that adding the –CF 2 groups effectively decreased the hydrophilicity and surface energy of carbon steel from 69.39 to 19.93 mJ/m 2 , hindering the adsorption of water molecules. Moreover, a frontier molecular orbital theory (FMOT) study confirmed that the –CF 2 groups enhanced the donation and drawing of electrons, and molecular dynamics (MD) simulations revealed that they reduced the interaction energy (E interact ) values between the corrosion inhibitor molecule and the iron surface (from −321.08 to −612.74 kJ·mol −1 ). It was inferred that among the three ionic liquids, [(OHC 2 )MIm][BETI] absorbed most strongly to the carbon-steel surface.
研究领域:
材料科学
·
电化学
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高影响因子
Journal of Environmental Chemical Engineering
·
2023
·
IF 7.7
Xiangchun Yang,Guangling He,Wenjian Dong,Liangmin Yu,Xia Li
Novel multisubstituted dopamine derivatives were synthesized and their ability to protect carbon steel in 1 M HCl was investigated by combining electrochemistry , surface analysis and theoretical calculations. The results showed that 91.53% inhibition could be obtained by adding 0.1 g/L of dopamine derivatives at 298 K. Potentiodynamic polarization tests showed that the addition of the dopamine derivative resulted in a corrosion potential difference of ≤ 31 mV, thus identifying the compound as a hybrid inhibitor. X-ray photoelectron spectroscopy and contact angle indicate the successful formation of a hydrophobic barrier on the carbon steel surface, and scanning electron microscopy and laser confocal microscopy confirm the improvement in surface morphology. The dopamine derivatives fit the Langmuir adsorption model with both physical and chemical adsorption. Density functional theory and molecular dynamics simulations revealed that dopamine derivatives rely on lone pairs of electrons in heteroatoms to adsorb parallel to the metal substrate and protect the carbon steel from corrosive media attack. Thus, dopamine derivatives can contribute to the pickling industry as a green corrosion inhibitor to avoid steel damage and waste.
研究领域:
材料科学
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电化学
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理论计算
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DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2025
·
IF 4.7
Rui Sun,Qiang Wang,Zhenghao Kou,Yihan Huang,Xinbo Geng,Ruitong Xu,Haowen Yu,Han Jia,Hui Yan
Polyacrylamide (PAM) is widely considered as an ideal candidate for metal corrosion inhibitors due to its cost-effectiveness. Numerous studies improved its corrosion inhibition performance through functional group modification. This study synthesized a novel high-performance modified polyacrylamide corrosion inhibitor (P(AM-co-ATPB), abbreviated as “PAA”) by copolymerizing acrylamide (AM) and allyltriphenylphosphonium bromide (ATPB) monomers. The corrosion inhibition performance of PAM and PAA was evaluated through weight loss tests, surface characterization and electrochemical experiments. PAA can inhibit the mild steel (MS) corrosion in 1 M HCl solution more effectively at the ultralow concentration of 10 mg/L ( η M =85.56 %) than polyacrylamide (PAM) at 500 mg/L ( η M =83.17 %). Then the inhibition mechanism was further investigated using Langmuir adsorption isotherm fitting, quantum chemical (QC) calculations and molecular dynamics (MD) simulations. The unique benzene ring, P and Br atom in PAA enhanced both physical and chemical interactions between the corrosion inhibitor molecules and MS surface Fe atoms. And the π-π stacking among PAA molecules further strengthened the adsorption layer compactness, which should be responsible for its superior corrosion inhibition performance than PAM. This study proved that the additional monomer ATPB markedly improved PAM-based corrosion inhibition efficiency, providing a novel perspective for the molecular structure design of PAM-based corrosion inhibitors.
研究领域:
材料科学
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化学工程
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电化学
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高分子科学
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表面科学
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DOI
高影响因子
LANGMUIR
·
2024
·
IF 3.7
Qiang Wang,Zhihao Shen,Qiuxia Wang,Chuanqi Li,Haidong Jia,Han Sun,Pingan Pei,Chang Shan,Liangyu Wu,Yifan Luo,Han Jia,Pan Huang
Great aqueous dispersibility, a large specific surface area, and high impermeability make graphene oxide (GO) the ideal candidate for a high-performance corrosion inhibitor. Numerous symmetrical modification methods have been reported to enhance the adsorption of GO on metal surfaces in various corrosive media. This work aims to investigate the enhancement and mechanism of unilateral hydrophobic modification on the corrosion inhibition performance of GO. In this study, amphiphilic Janus GO (JGO) was prepared by grafting hydrophobic alkyl chains on one side of GO, and its anticorrosion performance was evaluated via weight loss experiments and electrochemical tests. The results revealed that the corrosion inhibition efficiency for Q235 mild steel (MS) in a 1 M HCl aqueous solution of 25 ppm JGO (81.08%) was much higher than that of GO at the same concentration (22.12%). Furthermore, the Langmuir adsorption isotherm and computational study demonstrated that the synergistic effect of physical adsorption and chemical adsorption promoted the hydrophilic side of JGO close to the surface of the metal, and the dense protective layer was formed by the hydrophobic chains toward the corrosive medium, which effectively hindered the corrosion of MS by the acidic liquid. This study emphasizes the significant role of asymmetrically modified hydrophobic alkyl chains in improving the corrosion prevention performance of GO and provides a perspective for the structural design of GO-based corrosion inhibitors.
研究领域:
材料科学
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腐蚀与防护
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DOI
PubMed
高影响因子
LANGMUIR
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2024
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IF 3.7
Haidong Jia,Han Jia,Qiuxia Wang,Yingbiao Xu,Bowen Wang,Qiang Wang,Xu Li,Zhe Wang,Kaihe Lv,Pan Huang
A novel polymeric ionic liquid (PDBA-IL-NH2) using imidazolium ionic liquids with short alkyl chains as monomers and two control ionic liquids (PDBA-IL-OH and PIL-NH2) were synthesized. Their inhibition properties and mechanisms were explored via surface analysis, weight loss tests, electrochemical studies, and adsorption isotherm analysis. The corrosion inhibition efficiency (CIE) of PDBA-IL-NH2 gradually increased with increasing concentration, and the largest efficiency was 94.67% at 100 ppm. At the same concentration (50 ppm), the corrosion inhibition abilities of inhibitors were in the order of PDBA-IL-NH2 > PDBA-IL-OH > PIL-NH2 > IL-NH2. Based on the experimental investigation, the synergistic effect of electrostatic interaction, protonation, and electron donor–acceptor interaction facilitated the intensive entanglement and coverage of PDBA-IL-NH2 with the reticulated form on the metal, and the generated densest films protected the metal from the corrosive media. Ultimately, the theoretical results of molecular dynamics simulations and quantum chemical study were in high agreement with the experimental data, which confirmed the proposed inhibition mechanisms on the microscopic scale. This study contributed valuable perspectives to the design of efficient and ecofriendly corrosion inhibitors.
研究领域:
材料科学
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腐蚀与防护
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理论化学
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DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2024
·
IF 5.3
Han Jia,Qiang Wang,Hui Yan,Guopeng Wu,Jiaxin Li,Zhihao Shen,Han Sun,Pingan Pei,Haidong Jia,Dexin Liu
The ionic liquids (ILs) are regarded as the ideal candidate for the novel and high-efficiency corrosion inhibitors. While the cost problem caused by relatively large dosage limited the wide employments of conventional ILs. In the current study, we synthesized two novel phosphorus-based ionic liquids (PBILs) with different alkyl chain length (dodecyltriphenylphosphonium bromide (C 12 TPB) and cetyltriphenylphosphonium bromide (C 16 TPB)), and evaluated their anticorrosion efficiencies for mild steel (MS) in 1 M HCl aqueous solution by weight loss measurement, scanning electron microscope, X-ray photoelectron spectroscopy and electrochemical test. The results revealed that PBILs performed excellently (inhibition efficiencies > 93 %) at a very low concentration of 10 μM, which was much greater than those for traditional imidazole and pyridine ionic liquids at 500 μM. It was demonstrated that PBILs could adsorb on the metal surface to form the protective film, which should be mixed corrosion inhibitors with cathodic advantage. Then the adsorption study and molecular dynamics simulation confirmed that their special molecular structure highly promoted the intensity of the adsorption film mainly caused by the chemical adsorption. This study provided a novel approach for the structural design and development of high-performance IL corrosion inhibitors.
研究领域:
材料科学
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腐蚀与防护
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电化学
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DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2024
·
IF 5.3
Haidong Jia,Han Jia,Yi Lu,Xiaowei Li,Chunping Guo,Chuanqi Li,Zhihao Shen,Pingan Pei,Han Sun,Kaihe Lv,Pan Huang
A novel ammonium-derived dihydroxyl ionic liquid ([C 16 DPOA]Br) and a control ionic liquid ([C 16 DPA]Br) are synthesized to reveal the effect of dihydroxyl and head groups on their inhibition property via the weight-loss method, surface analysis, electrochemical measurements, and adsorption isotherm studies. [C 16 DPOA]Br exhibits the optimal inhibition ability (93.47 %) for mild steel in 1 M HCl in contrast to [C 16 DPA]Br (88.03 %) and the traditional cationic surfactant CTAB (92.34 %). Based on the experimental results, it can be inferred that the short alkyl chain (propyl) impedes the tight alignment of [C 16 DPA]Br on the metal surface and the interactions between hydroxyl and iron atoms enable [C 16 DPOA]Br to overcome the negative effects of the short alkyl chain on the inhibition property. Finally, molecular electrostatic potential (MEP) distribution and molecular dynamics (MD) simulation verify the reactive sites and adsorption capacity of corrosion inhibitors from the microscopic scale, which further confirms the proposed mechanism. This study focuses on the significance of dihydroxyl and head groups on the inhibition property and provides unique insights into the development of efficient ionic liquid corrosion inhibitors.
研究领域:
材料科学
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腐蚀与防护
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表面科学
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DOI
高影响因子
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