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CORROSION SCIENCE · 2024 · IF 7.4

Differential corrosion behavior of 3-nitro-1,2,4-triazole-5-one (NTO) and ammonium perchlorate (AP): Insights from experiments and simulations

Ziyang Guo,Liyuan Qin,Haoming Zou,Xiao Ma,Dongliang Wang,Yansong Shi,Xijuan Lv,Yujie Qiang,Wei Guo,Qinghai Shu

This study investigates the corrosion mechanism of carbon steel (CS) induced by high-energy density materials (HEDMs), NTO and AP. CS exhibited corrosion rates of 1.314 mm/y and 8.690 mm/y when exposed to NTO and AP powders, respectively. However, these rates shifted to 9.050 mm/y for NTO and 3.597 mm/y for AP in solution. Experiments combining grand canonical Monte Carlo (GCMC) and ab initio molecular dynamics (AIMD) simulations demonstrate AP’s greater susceptibility to hygroscopicity, establishing a corrosive environment. CS maintains an unabated corrosion rate as Cl - from AP reduction damages corrosion products. Conversely, NTO’s compact corrosion products effectively delay CS corrosion.

CAS / MDL: 7727-54-0
研究领域: 材料科学 · 腐蚀科学 · 计算化学
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Heliyon · 2024 · IF 3.4

Two novel triazine-based quaternary ammonium salt Gemini surfactants as potential corrosion inhibitors for carbon steel in a sulfate-reducing bacteria solution: Experimental and theoretical studies

Guofang Gao,Junxia Wang,Penghui Liang,Yilei Ruan,Dehua Wang,Li Feng,Xuemei Ma,Zhiyong Hu,Hailin Zhu

In this paper, two triazine ring–containing quaternary ammonium salt Gemini surfactants (C 12 -2-C 12 and C 14 -2-C 14 ) were synthesized. The minimum inhibitory concentrations against sulfate-reducing bacteria (SRB) of C 12 -2-C 12 , C 14 -2-C 14 and dodecyl dimethyl benzyl ammonium chloride (1227) were determined using the double-dilution method. The performance of C 12 -2-C 12 and C 14 -2-C 14 in inhibiting carbon steel corrosion in the presence of SRB was examined, with 1227 serving as a control sample. The corrosion inhibition properties were assessed through static weight loss, electrochemical testing, and surface analysis. The interface adsorption behaviour of the corrosion inhibitor was explored via molecular dynamics simulations. Results indicate that the minimum inhibitory concentrations (MIC) of C 12 -2-C 12 (0.021 mM) and C 14 -2-C 14 (0.005 mM) are lower than that of 1227 (0.300 mM). The results of static weightlessness measurement reveal that the corrosion inhibition effects of the three surfactants on carbon steel soaked in SRB solution follow the order of C 14 -2-C 14 > C 12 -2-C 12 > 1227, with inhibition rates of 93.23 %, 88.45 %, and 76.49 % at a concentration of 0.2 mM, respectively. The adsorption behavior of these surfactants (1227, C 12 -2-C 12 , and C 14 -2-C 14 ) on carbon steel surface in the presence of SRB conforms the Langmuir isotherm adsorption model. The outcomes of electrochemical experiments align with the static weight loss data. Furthermore, surface analysis results suggest that the surfactants can adsorb onto the carbon steel surface to form a protective film, thereby inhibiting SRB-induced corrosion.

研究领域: 材料科学 · 微生物学 · 电化学
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NEW JOURNAL OF CHEMISTRY · 2020 ·Vol. 44 ·期 41 ·17791-17814 · IF 3.288

Corrosion inhibition of carbon steel in hydrochloric acid solution using newly synthesized urea-based cationic fluorosurfactants: experimental and computational investigations

Hany M. Abd El-Lateef,K. Shalabi,Ahmed H. Tantawy

The facile synthesis approach, surface-active properties, and anti-corrosive efficiency of innovative urea-based cationic fluorinated surfactants (FUS) of variable alkyl chain length were investigated. The effect of as-prepared FUS inhibitors on carbon steel corrosion in 15% HCl solution at 20–50 °C was examined using weight loss and various electrochemical methods (open circuit potential (OCP) vs. time, potentiodynamic polarization (PDA) and electrochemical impedance spectroscopy (EIS) methods). The corrosion protection capacities at an optimum concentration (0.5 mM) are 93.2% (FUS-8), 96.3% (FUS-10) and 97.6% (FUS-12) by PDA, comparable to the findings achieved by EIS. PDA measurements indicated that the studied FUS act as inhibitors of mixed-type and chemical adsorption on a carbon steel interface following the Langmuir isotherm model. The thermodynamic and kinetic indices of the corrosion and adsorption processes were estimated and interpreted. Surface examinations by X-ray photoelectron spectroscopy (XPS), Fourier-transform infrared spectroscopy (FTIR), field emission scanning electron microscopy and energy dispersive X-ray analysis (FESEM/EDX) revealed the formation of a protecting layer at the carbon steel/HCl interface. Quantum chemical indices (DFT based) delivered more understanding of the inhibition mechanism. Molecular dynamics (MD) simulations were accomplished to explore the configurational adsorption performance of the studied fluorosurfactants on the iron(110) interface. It is supposed that these findings are of some significance for the reasonable design of effective inhibitors for acidic corrosion.

研究领域: 材料科学 · 电化学 · 计算化学
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2020 · IF 3.99

Preparation and inhibition behavior of Fe3O4/MBT nanocomposite inhibitor for mild steel in NaCl solution

Xin Liu,Jihui Wang,Wenbin Hu

The hollow Fe 3 O 4 microspheres were firstly synthesized by solvothermal method. And then Fe 3 O 4 /MBT nanocomposite inhibitor was obtained by loading 2-mercaptobenzothiazole (MBT) inhibitor under negative vacuum impregnation treatment and characterized using transmission electron microscopy , X-ray diffraction, Fourier transform infrared spectroscopy , nitrogen adsorption-desorption isotherms and vibrating sample magnetometer . The release behavior of MBT and inhibition behavior of Fe 3 O 4 /MBT nanocomposite under different magnetic field (MF) strength were evaluated by UV–vis spectroscopy, electrochemical techniques and immersion tests. The results show that the synthesized superparamagnetic Fe 3 O 4 /MBT nanocomposite shows high MBT loading capacity of 55.4 %. Under the application of MF, the release behavior of MBT from Fe 3 O 4 /MBT is dominated by Fickian diffusion and diffusion among magnetic nanoparticles , and the release rate and inhibition efficiency are less than that of without MF under the same release time. The nanocomposite has a good inhibition effect for carbon steel in NaCl solution with maximum inhibition efficiency of 95.7 %, and also possesses excellent recycling stability with loading capacity of 45.1 % and inhibition efficiency of 78.8 % after five cycles.

研究领域: 材料科学 · 电化学 · 腐蚀与防护
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Water · 2024 ·Vol. 16 ·期 8 ·1182 · IF 3

Inhibition of Carbon Steel Corrosion Using Dextran Derivatives in Circulating Cooling Water

Ping Xu,Xingrun Chen

Developing environmentally friendly and biodegradable corrosion inhibitors is an important research direction due to the toxicity and non-degradability of conventional carbon steel corrosion inhibitors added to circulating cooling water environments. Polysaccharides in EPSs (Exopolysaccharides) can be used as green corrosion inhibitors, but a low inhibition rate limits their practical application. Chemical modification is widely used to modify the functionality of polysaccharides by altering their physicochemical properties and structures, thereby enhancing or supplementing their functional characteristics. In this study, we employed chloroacetic acid as an esterifying agent to chemically modify Dextran and successfully synthesized a modified polysaccharide derivative with a substitution degree of 0.326. This derivative efficiently inhibited the corrosion of carbon steel in circulating cooling water environments. The carboxymethylated dextran (CM-Dextran) formed after synthesis could adsorb onto metal surfaces to form a protective film, thereby inhibiting metal surface dissolution reactions and exhibiting anodic corrosion inhibition properties. The experimental results showed that the corrosion inhibition efficiency of CM-Dextran after modification increased by up to 57.4%, with a maximum inhibition efficiency of 82.52% at a concentration of 4 mg/mL. This study provides new insights and opportunities for the development of environmentally friendly corrosion inhibitors derived from polysaccharides.

CAS / MDL: 79-11-8
研究领域: 材料科学 · 环境科学
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JOURNAL OF MOLECULAR LIQUIDS · 2022 · IF 6.633

Synergism of 2-mercaptobenzimidazole and oleic imidazoline on corrosion inhibition of carbon steel in CO2 -saturated brine solutions

Xintong Wang,Jiang Yang,Xu Chen,Wei Ding

The inhibition properties of 2-mercaptobenzimidazole (MBI) and its synergism with oleic imidazoline (OIM) for carbon steel in CO 2 -saturated brine solution were investigated by electrochemical, weight loss measurements, surface analysis and quantum chemical calculations. The effectiveness of MBI for OIM was also compared to the other sulfur-containing corrosion inhibitors such as 2-mercaptothanol (ME), mercaptoacetic acid (TGA), and thiourea (TU). The results show that a mixture of MBI and OIM gave a better synergistic corrosion inhibition than that of ME, TGA, and TU. OIM is protonated and coupled with MBI by hydrogen bonding to co-adsorb on the carbon steel surface. MBI adsorbs on Fe by a bidentate binding N S bridge connection, which effectively prevents the carbon steel from CO 2 corrosion.

研究领域: 材料科学 · 电化学 · 表面化学
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RESEARCH ON CHEMICAL INTERMEDIATES · 2020 ·Vol. 47 ·期 2 ·663-682 · IF 2.262

Experimental and theoretical investigation on the effect of N-substituent position on the inhibition performance of l-lysine derivatives for carbon steel in H2SO4 solution

Zhu Lin,Zheng Xingwen,Zeng Xianguang,Gong Min,Guo Lei

The inhibitive effect and inhibition mechanism of l -lysine derivatives, namely α- N -benzyloxycarbonyl- l -lysine (α-NL) and ε- N -benzyloxycarbonyl- l -lysine (ε-NL), on the corrosion of carbon steel in 0.5 M H 2 SO 4 solution were investigated by electrochemical technique, weightlessness test, scanning electron microscope, atomic force microscope, infrared attenuated reflectance spectroscopy and quantum chemical calculation. The results showed that α-NL and ε-NL as moderate cathodic inhibitors mainly inhibited the cathodic reaction of carbon steel in 0.5 M H 2 SO 4 solution, and the terminal substituted ε-NL showed better corrosion inhibition than the α- N -benzyloxycarbonyl protected α-NL. Their inhibition efficiencies increased with the increase in inhibitor concentration, and the inhibition efficiency of α-NL and ε-NL with concentration of 10 mmol can reach 53.4% and 61.5%, respectively, but decreased with rising temperature. The adsorption of investigated inhibitors on the surface of carbon steel obeyed the modified Langmuir isotherm and El-Awady thermodynamic-kinetic model, and the thermodynamic and kinetic parameters were determined to discuss the mechanism of inhibition of α-NL and ε-NL. Moreover, Quantum chemical calculation gave further insight into the inhibition mechanism of α-NL and ε-NL and was employed to reveal the reasons for their differences in inhibition performance.

研究领域: 材料科学 · 电化学 · 量子化学
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JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS · 2025 · IF 4.9

A novel Chitosan Schiff Base Derivatives as Eco-Friendly Corrosion Inhibitors for Q235 Carbon Steel: A Combined Experimental and Theoretical Study

Mohammed Mustafa Yousif Modwi,Huixia Feng,Yafei Liu,Zhao juanjuan

In this study, two novel chitosan-based Schiff bases, SCBS-I and SCBS-II, were synthesized by condensation reactions between chitosan and isatin or menthone, respectively. The prepared Schiff bases were further quaternized via 2,3-epoxypropyltrimethylammonium chloride (EPTAC) to augment inhibitor solubility and inhibition efficiency. Developed as a green and eco-friendly corrosion inhibitor for Q235 carbon steel in hydrochloric solution. The successful synthesis of two chitosan derivatives was characterized via 1 H NMR and FTIR studies. The inhibitors efficiency was evaluated through weight loss, with a greater inhibition efficiency of 94.8% achieved at 250 mg. L -1 . Electrochemical studies inclding EIS and PDP measurements suggest the inhibitors act as mixed types, while aligning with the Langmuir adsorption isotherms model. Gibbs free energies (ΔG) indicate that the inhibitors adsorb onto the carbon steel surface via physical and chemical adsorptions. The surface morphology was investigated using SEM, and XPS confirmed the formation of an adsorbed protective film on the metal surface. Molecular dynamics simulations were applied to investigate the corrosion inhibition mechanism. These findings provide new insights into the design of eco-friendly Schiff base–chitosan derivatives, and future work will focus on optimizing molecular structures and evaluating their performance in more complex corrosive environments.

CAS / MDL: 108-94-1
研究领域: 材料腐蚀与防护 · 高分子化学 · 表面科学 · 电化学 · 计算材料学
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CORROSION SCIENCE · 2021 · IF 7.205

Intra-/inter-molecular synergistic inhibition effect of sulfonate surfactant and 2-benzothiazolethiol on carbon steel corrosion in 3.5% NaCl solution

Hailin Zhu,Xiaofen Li,Xiaomeng Lu,Xiaojie Chen,Jun Li,Xinghua Han,Xuemei Ma,Zhiyong Hu

A sulfonate surfactant (CHT) was synthesized, reacted with 2-benzothiazolethiol (MBT) to obtain CHMT to investigate the intramolecular synergistic inhibition effect of CHT and MBT. Meanwhile, a mixture of CHT and MBT in a 1:1 mol ratio (CHT + MBT) was used to investigate the intermolecular synergistic inhibition effect of CHT and MBT. The results from electrochemical experiment and theoretical studies indicated that CHMT and CHT + MBT strongly inhibited the corrosion of carbon steel in 3.5 % NaCl solution compared to MBT or CHT, revealing intramolecular and intermolecular synergistic action between CHT and MBT. Additionally, the mechanisms of intramolecular and intermolecular synergistic effects were proposed.

CAS / MDL: 111-26-2 149-30-4
研究领域: 腐蚀科学 · 材料科学 · 电化学 · 表面化学
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