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Electrochemical studies, Monte Carlo simulation and DFT of a new composite - pentaglycidyl ether pentaphenoxy of phosphorus - crosslinked and hybrid in its coating behavior on E24 carbon steel in 3.5% NaCl 新型复合材料-磷交联五甘油酯醚五苯氧基在3.5% NaCl环境下对E24碳钢涂层行为的电化学、Monte Carlo模拟和DFT研究
IF 1.2 Q3 Chemistry Pub Date : 2021-01-01 DOI: 10.4152/pea.202101001
R. Hsissou, F. Benhiba, A. Zarrouk, H. Oudda, A. Elharfi
This work consists in applying and studying the new pentafunctional phosphoric polymeric architecture – pentaglycidyl ether pentaphenoxy phosphorus (PGEPPP) – on the behavior of its coating, in a marine environment. First, we applied the new macromolecular pentafunctional epoxide (PGEPPP) binder, crosslinked by methylene dianiline and formulated by a natural phosphate, to E24 carbon steel, in the presence of two formulations, F1 (PGEPPP/MDA) and F2 (PGEPPP/MDA/PN). Then, we have studied the behavior of the anticorrosive coating on the metal substrate, in 3.5% NaCl. Indeed, the gravimetric, stationary and transient electrochemical studies of the composite (PGEPPP/MDA/PN) are very interesting and reach maximum values which are equal to 94%, 95% and 91%, respectively. We then proceeded to the prediction of the quantum parameters of the new pentafunctional phosphorus epoxy resin; these parameters were calculated according to the method of the Theory of Functional Density (DFT), at the level of 6-311 G (d,p) basis sets. Finally, the results obtained by the Monte Carlo simulation are in very good agreement with the data of the DFT theory and with the experimental data.
本文主要研究了新型五官能磷聚合物结构-五缩水甘油酯醚五苯氧磷(PGEPPP)在海洋环境中的涂层行为。首先,我们在F1 (PGEPPP/MDA)和F2 (PGEPPP/MDA/PN)两种配方存在的情况下,将由亚甲基二苯胺交联并由天然磷酸盐配制的新型大分子五功能环氧化物(PGEPPP)粘结剂应用于E24碳钢。然后,我们研究了在3.5% NaCl溶液中金属基体上的防腐涂层的行为。事实上,复合材料(PGEPPP/MDA/PN)的重量、静态和瞬态电化学研究非常有趣,分别达到94%、95%和91%的最大值。然后对新型五官能团环氧磷树脂的量子参数进行了预测;根据泛函密度理论(DFT)的方法,在6-311 G (d,p)基集的水平上计算这些参数。最后,蒙特卡罗模拟得到的结果与DFT理论数据和实验数据吻合得很好。
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引用次数: 6
Corrosion Inhibition and Electrochemical Behaviour of Commercial Rutin in an Acidic Environment 商品芦丁在酸性环境中的缓蚀及电化学行为
IF 1.2 Q3 Chemistry Pub Date : 2021-01-01 DOI: 10.4152/pea.2021390502
N. Ngobiri, Y. Li, L. Liu
The electrochemical corrosion behaviour of pipeline steel in a sulphuric acid environment, in the absence and presence of commercial Rutin (CR), was studied using electrochemical techniques. The polarization and impedance curves showed an excellent corrosion inhibition characteristic of Rutin, which was more cathodically controlled. Temperature increase slightly improved CR corrosion inhibition capacity. CR was able to increase the charge transfer resistance up to four days, and showed a smoother corrosion surface morphology in the study environment. Analysis of the corrosion surface film showed that Rutin was chemically adsorbed onto the pipeline steel surface.
采用电化学技术研究了管道钢在硫酸环境中,在没有和有商品芦丁(CR)的情况下的电化学腐蚀行为。极化和阻抗曲线表明,芦丁具有良好的缓蚀特性,其缓蚀特性受阴极控制较大。温度稍微升高,CR的缓蚀能力有所提高。CR能够将电荷转移电阻提高4天,并且在研究环境中显示出更光滑的腐蚀表面形态。腐蚀表面膜分析表明,芦丁在管道钢表面有化学吸附。
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引用次数: 0
Inhibition Efficiency of Copper Corrosion in a Neutral Chloride Solution by Barbituric and Thiobarbituric Acids 巴比妥酸和硫代巴比妥酸在中性氯溶液中对铜的缓蚀效果
IF 1.2 Q3 Chemistry Pub Date : 2021-01-01 DOI: 10.4152/pea.202102085
H. S. Mandour, A. M. Abdel-Karim, A. M. Fathi
Environmental green compounds have emerged as powerful inhibitors for metals and alloys corrosion. So, this article attempts to show that barbituric (BA) and thiobarbituric acids (TBA) are good green corrosion inhibitors for copper immersed in 0.6 mol/L NaCl. A combination of quantitative and qualitative tools were used in this investigation, such as electrochemical impedance spectroscopy (EIS), potentiodynamic polarization, FT-IR spectroscopy, scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDX). Polarization measurements indicate that these compounds can function as mixed type inhibitors. It was found that the adsorption of these inhibitors onto the copper surface obeyed Flory-Huggins isotherm. Also, the effect of temperature in the inhibitors absence and presence was studied according to Arrhenius isotherm. Some thermodynamic functions of dissolution and adsorption processes were calculated, such as activation energy (Ea), enthalpy (ΔH), free energy (ΔG) and entropy (ΔS). The barbituric and thiobarbituric acids recorded high inhibition efficiency of copper corrosion at concentrations of 5x10 mol/L and 1x10 mol/L, respectively.
环保绿色化合物已成为金属和合金腐蚀的有效抑制剂。因此,本文试图证明巴比妥酸(BA)和硫代巴比妥酸(TBA)在0.6 mol/L NaCl中对铜具有良好的绿色缓蚀剂作用。采用电化学阻抗谱(EIS)、动电位极化、傅里叶红外光谱(FT-IR)、扫描电镜(SEM)和能量色散x射线谱(EDX)等定量和定性相结合的方法进行研究。偏振测量表明,这些化合物可以作为混合型抑制剂。发现这些抑制剂在铜表面的吸附服从Flory-Huggins等温线。根据阿伦尼乌斯等温线研究了温度对抑制剂存在和不存在的影响。计算了溶解和吸附过程的热力学函数,如活化能(Ea)、焓(ΔH)、自由能(ΔG)和熵(ΔS)。巴比妥酸和硫代巴比妥酸在浓度分别为5 × 10 mol/L和1 × 10 mol/L时对铜的缓蚀效果较好。
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引用次数: 5
Experimental, Quantum Chemical and Monte Carlo Simulation Studies on the Corrosion Inhibition of Mild Steel by Three New Schiff Base Derivatives 三种新型希夫碱衍生物对低碳钢缓蚀作用的实验、量子化学和蒙特卡罗模拟研究
IF 1.2 Q3 Chemistry Pub Date : 2021-01-01 DOI: 10.4152/pea.2021390501
A. Nahlé, M. El-Azzouzi, A. Aouniti, F. Abrigach, A. Djedouani, I. Warad, I. Obot, A. Zarrouk, B. Hammouti
The corrosion inhibition of newly synthesized Schiff base derivatives, namely (E)-3-(1-((2-aminophenyl)imino)ethyl)-4-hydroxy-6-methyl-2H-pyran-2-one (FMO), (E)-3-(1-((3-aminophenyl)imino)ethyl)-4-hydroxy-6-methyl-2H-pyran-2-one (FMM), and (E)-3-(1-((4-aminophenyl)imino)ethyl)-4-hydroxy-6-methyl-2H-pyran-2-one (FMP) was investigated for mild steel, in a 1.0 M HCl medium, using weight loss, electrochemical impedance spectroscopy, potentiodynamic polarization and theoretical calculations. FMO, FMM and FMP inhibition effectiveness increased with higher inhibitors concentrations, and decreased with a rise in temperature. Polarization studies showed that FMO, FMM and FMP were of mixed type nature. The results obtained from AC-impedance technique were analyzed to model the corrosion inhibition process through a suitable equivalent circuit model, where a constant phase element (CPE) has been used. FMO, FMM and FMP were found to obey Langmuir adsorption isotherm and Kinetic-Thermodynamic Model of El-Awady. Quantum chemical calculations were used to provide molecular based explanations for FMO, FMM and FMP inhibitive effects. Monte Carlo simulation studies and experimental results were in good agreement.
通过失重、电化学阻抗谱、动电位极化和理论计算,研究了新合成的希夫碱衍生物(E)-3-(1-(2-氨基苯基)亚胺)乙基)-4-羟基-6-甲基- 2h -吡喃-2-one (FMO)、(E)-3-(1-(3-氨基苯基)亚胺)乙基)-4-羟基-6-甲基- 2h -吡喃-2-one (FMM)和(E)-(1-(4-氨基苯基)亚胺)乙基)-4-羟基-6-甲基- 2h -吡喃-2-one (FMP)在1.0 M HCl介质中对低碳钢的缓蚀作用。FMO、FMM和FMP的抑制效果随抑制剂浓度的增加而增加,随温度的升高而降低。极化研究表明,FMO、FMM和FMP为混合型。分析了交流阻抗技术得到的结果,通过合适的等效电路模型来模拟腐蚀抑制过程,其中使用了恒相元件(CPE)。FMO、FMM和FMP均服从Langmuir吸附等温线和El-Awady动力学-热力学模型。利用量子化学计算为FMO、FMM和FMP的抑制作用提供了分子基础的解释。蒙特卡罗模拟研究与实验结果吻合较好。
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引用次数: 4
Electrochemical and Metallurgical Behavior of Lead-Magnesium Casting Alloys as Grids for Lead-Acid Batteries 铅酸电池栅极用铅镁合金的电化学和冶金性能
IF 1.2 Q3 Chemistry Pub Date : 2021-01-01 DOI: 10.4152/pea.2021390403
S. Khatbi, Y. Gouale, A. Lamiri, M. Essahli
In order to evaluate the influence of magnesium on the corrosion resistance of lead anodes in H2SO4 4 M, as well as on the microcrystalline morphology of lead, different electrochemical and metallurgical studies were made, such potentiodynamique polarization, electrochemical impedance spectroscopy, microhardness evolution, X-ray fluorescence spectroscopy and optical microscopy. The obtained results have shown that the addition of magnesium up to 1.5% in weight leads to a significant decrease in the corrosion current density (Icorr) and therefore, it increases the corrosion inhibition efficiency to 83% and it reduces the famous sulfation phenomena, by facilitating the transformation of PbSO4 and PbO to PbO2. It also makes the micro-structure of Pb much stronger, which makes the Pb anodes more resistant to mechanical shocks within the battery. We have also studied the effect of temperature on the corrosion of the new casting alloys. We found that an increase in temperature led to a decrease in its effect on the corrosion of alloys, compared with that of pure lead. Therefore, the new improved battery is more resistant, durable and more environment friendly.
为了评价镁对铅阳极在H2SO4 - 4m中耐蚀性的影响,以及对铅微晶形貌的影响,进行了不同的电化学和冶金研究,如电位动力学极化、电化学阻抗谱、显微硬度演变、x射线荧光光谱和光学显微镜。结果表明,当镁的加入量达到1.5%时,腐蚀电流密度(Icorr)显著降低,缓蚀效率提高到83%,并通过促进PbSO4和PbO向PbO2的转化,减少了著名的磺化现象。它还使铅的微观结构更加坚固,从而使铅阳极更能抵抗电池内的机械冲击。我们还研究了温度对新型铸造合金腐蚀的影响。我们发现,与纯铅相比,温度升高导致其对合金腐蚀的影响减小。因此,新改进的电池更耐腐蚀,更耐用,更环保。
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引用次数: 0
Comparative study of the effect of an acidic anion on the mild steel corrosion inhibition using Rhus Coriaria plant extract and its quercetin component 酸性阴离子对马齿苋提取物及其槲皮素对低碳钢缓蚀作用的比较研究
IF 1.2 Q3 Chemistry Pub Date : 2021-01-01 DOI: 10.4152/pea.2021390402
K. Hijazi, A. Abdel-Gaber, G. Younes, R. Habchi
The use of plant extracts as corrosion inhibitors has been increasing greatly in recent studies. The inhibitive effect of sumac, Rhus Coriaria (RC), a Lebanese plant, and Quercetin, one of its chemical constituents, on mild steel corrosion, in 0.5 M HCl and 0.5 M H2SO4 solutions, was studied using electrochemical impedance spectroscopy (EIS), potentiodynamic polarization, atomic force spectroscopy (AFM) and Fourier infrared spectroscopy (FTIR) techniques. Potentiodynamic polarization curves indicated that both RC and its chemical constituent, Quercetin, behave as a mixed type inhibitor in both acidic media. The dissolution process of RC and Quercetin occured under activation control, as showed by EIS measurements, and the corrosion inhibition is the result of the inhibitor adsorption onto the metal surface. Inhibition by RC extract was found to be greater in 0.5 M HCl than in 0.5 M H2SO4 solutions; RC extract also proved to be a better inhibitor than its chemical constituent, Quercetin, in both acids. Thermodynamic parameters indicate that the inhibition process on the steel surface was due to spontaneous physical adsorption of RC and Quercetin onto it. The adsorption model was found to obey thermodynamic-kinetic model and Flory-Huggins model. Surface analysis by AFM spectroscopy investigated the formation of the adsorbed protective film onto the mild steel surface.
近年来,植物提取物作为缓蚀剂的应用越来越广泛。采用电化学阻抗谱(EIS)、动电位极化、原子力谱(AFM)和傅里叶红外光谱(FTIR)技术,研究了黎巴嫩漆树、芫荽(Rhus Coriaria, RC)及其化学成分槲皮素在0.5 M HCl和0.5 M H2SO4溶液中对低碳钢的缓蚀作用。动电位极化曲线表明,RC及其化学成分槲皮素在两种酸性介质中均表现为混合型抑制剂。EIS测试表明,RC和槲皮素的溶解过程是在活化控制下发生的,缓蚀作用是缓蚀剂吸附在金属表面的结果。在0.5 M HCl溶液中,RC提取物的抑制作用大于0.5 M H2SO4溶液;在两种酸中,槲皮素提取物也被证明是比其化学成分槲皮素更好的抑制剂。热力学参数表明,RC和槲皮素在钢表面的抑制作用是自发的物理吸附。吸附模型服从热力学-动力学模型和Flory-Huggins模型。利用原子力显微镜(AFM)对低碳钢表面吸附保护膜的形成进行了分析。
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引用次数: 5
Kinetics of Electrode Processes on Metals Coated with Hydrocarbon Films in Solutions of Electrolytes 金属包覆烃膜在电解质溶液中的电极过程动力学
IF 1.2 Q3 Chemistry Pub Date : 2021-01-01 DOI: 10.4152/pea.2021390503
V. I. Vigdorovitch, L. Tsygankova, M. Vigdorowitsch, N. Shel, L. Knyazeva
Kinetics regularities of hydrogen evolution reaction (HER) on Armco iron and copper anodic ionization, covered with a hydrocarbon film based on I-20A oil with a fixed amount of gun grease of the highest quality (GGHQ), were studied at room temperature. The measurements were carried out in aqueous and methanol solutions with the electrolyte composition of x M HCl + (1 x) M LiCl and 0.1 М HCl + х М LiCl + (3.9 х) М LiClO4. The Tafel slope coefficients values, and the orders of reactions, with respect to hydrogen ions (Fe, Cu) and chloride-ions (Cu) were estimated. The effect of oxyethylated amines (OEA), introduced into the solution or hydrocarbon surface coating, on the kinetics of electrode processes, for iron and copper, has been studied. It is shown that HER mechanism on Armco iron and copper anodic ionization does not change in the presence of a hydrocarbon coating on the metal surface. Large OEA molecules freely penetrate from the solution through the hydrocarbon coating to the metal surface, changing partial electrode reactions kinetics. The results are interpreted taking into account the hydrocarbon films surface porous structure.
研究了室温条件下,在I-20A油基烃膜和一定量的高质量枪炮润滑脂(GGHQ)覆盖下,铁铜阳极电离析氢反应(HER)的动力学规律。测量在水溶液和甲醇溶液中进行,电解质组成为x M HCl + (1 x) M LiCl和0.1 М HCl + М LiCl + (3.9) М LiClO4。估计了氢离子(Fe, Cu)和氯离子(Cu)的Tafel斜率系数值和反应级数。研究了氧乙基化胺(OEA)对铁和铜电极过程动力学的影响。结果表明,在金属表面有碳氢化合物涂层的情况下,铁和铜阳极电离的HER机制没有改变。大的OEA分子通过碳氢化合物涂层从溶液中自由渗透到金属表面,改变了部分电极反应动力学。考虑了碳氢化合物薄膜表面的多孔结构,对结果进行了解释。
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引用次数: 0
Corrosion Inhibition Study of Mild Steel in an Aqueous Hydrochloric Acid Solution Using Brilliant Cresyl Blue - a Combined Experimental and Monte Carlo Study 亮甲酚蓝对低碳钢在盐酸水溶液中的缓蚀研究——实验与蒙特卡罗相结合的研究
IF 1.2 Q3 Chemistry Pub Date : 2021-01-01 DOI: 10.4152/pea.2021390601
A. Berisha, F. Podvorica, R. Vataj
Mild steel corrosion behaviour in a 0.5 M hydrochloric acid aqueous medium has been studied using potentiodynamic polarization measurements and Monte Carlo calculations, in the presence and absence of (7-Amino-8-methylphenoxazin-3-ylidene)-diethylazanium dichlorozinc dichloride [known as Brilliant Cresyl Blue (BCB) - dye]. Potentiodynamic measurements indicate that this compound acts as a slightly anodic inhibitor. Monte Carlo simulation was used to understand the studied molecules adsorption ability onto a Fe(1 1 0) surface, at the molecular level. The experimental results and theoretical calculations provided important support for the understanding of the corrosion inhibition mechanism adopted by this molecule.
在(7-氨基-8-甲基苯恶嗪-3-酰基)-二乙基二氯锌[也称为亮甲酰蓝(BCB) -染料]存在和不存在的情况下,利用动电位极化测量和蒙特卡罗计算研究了0.5 M盐酸水溶液中低碳钢的腐蚀行为。电位学测量表明,该化合物具有轻微的阳极抑制作用。蒙特卡罗模拟在分子水平上了解了所研究的分子在Fe(110)表面的吸附能力。实验结果和理论计算为理解该分子的缓蚀机理提供了重要支持。
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引用次数: 15
Iron Determination in Deep Groundwater Wells by Anodic Stripping Voltammetry at an Iodine-Coated Platinum Electrode 碘包覆铂电极阳极溶出伏安法测定深水井中的铁
IF 1.2 Q3 Chemistry Pub Date : 2021-01-01 DOI: 10.4152/pea.2021390604
M. Amayreh, M. Hourani, R. Alomari, W. Hourani
The presented work was pivoted on iron (II) determination in deep groundwater wells samples by using anodic stripping technique at an iodine-coated platinum electrode. The developed method was based on a preconcentration step for five min., followed by the potential scanning of an iodine-coated platinum electrode between the limit of hydrogen evolution (-0.25 V) and the beginning of iodine desorption from the electrode surface (+0.85 V). The anodic peak of the deposited iron to iron (II) oxidation was clearly centered at ca. 0.74 V. The anodic peak current showed an excellent linear response (R 2 = 0.996), within an iron (II) concentration range from 1 to 100 ppm. The obtained limit of detection (LOD) was 0.26 ppm and the limit of quantification (LOQ) was 0.85 ppm. Within the iodine-coated platinum electrode potential window the possible interferences by several ions were evaluated. The developed method was examined by iron (II) concentration determination in deep groundwater wells. The statistical comparisons between the two methods showed the absence of any significant difference between the obtained Inductively Coupled Plasma-Optical Emission Spectrometry (ICP-OES) values and our voltammetric method results, at P = 0.05. iron (II) determination; deep groundwater; stripping voltammetry and iodine-coated platinum electrode.
本文研究了在碘包覆铂电极上阳极溶出法测定深水井样品中的铁(II)。该方法先进行5 min的预富集,然后对镀碘铂电极在析氢极限(-0.25 V)和电极表面碘解吸开始(+0.85 V)之间进行电位扫描,沉积的铁到铁(II)氧化的阳极峰明显集中在约0.74 V处。在铁(II)浓度为1 ~ 100 ppm范围内,阳极峰值电流表现出良好的线性响应(r2 = 0.996)。所得样品的检出限为0.26 ppm,定量限为0.85 ppm。在碘包覆铂电极电位窗口内,对几种离子可能的干扰进行了评价。用深水井铁(II)浓度测定对所建立的方法进行了验证。两种方法之间的统计比较表明,电感耦合等离子体光学发射光谱(ICP-OES)值与伏安法结果之间没有显著差异,P = 0.05。铁(II)测定;深层地下水;溶出伏安法与碘包覆铂电极。
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引用次数: 1
Removal of Ni(II), Zn(II) and Co(II) from Aqueous Solutions by Using Different Types of Activated Carbon 不同类型活性炭去除水溶液中Ni(II)、Zn(II)和Co(II)的研究
IF 1.2 Q3 Chemistry Pub Date : 2021-01-01 DOI: 10.4152/pea.2021390302
M. M. El-Torky, S. Shama, E. A. A. Mohye
The adsorption capacity of activated carbon and activated carbon with amide group towards Ni(II), Zn(II) and Co(II) from aqueous solutions was studied in varying treatment conditions such as contact time, weight of sorbent, pH and initial concentration of treated metal ions. The adsorption capacity was investigated by batch experiments. The results showed that the removal percentages were enhanced by increasing the weight of the added sorbent, contact time, pH of the solution and the initial concentration of treated metal ions. The optimum order of increasing removal percentages of metal ions by using activated carbon (AC) prepared from sawdust of beech wood at pH=5, with an initial concentration of metal ions of 100 mg/L, and after two hours of shaking, was: Zn(II)
研究了活性炭和酰胺基活性炭在接触时间、吸附剂质量、pH和处理金属离子初始浓度等条件下对水溶液中Ni(II)、Zn(II)和Co(II)的吸附能力。通过批量实验考察了其吸附能力。结果表明,增加吸附剂的质量、接触时间、溶液pH和处理后金属离子的初始浓度均能提高去除率。以山毛榉木屑为原料制备活性炭,在pH=5、金属离子初始浓度为100 mg/L、振荡2 h时,提高金属离子去除率的最佳顺序为:Zn(II)
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引用次数: 0
期刊
Portugaliae Electrochimica Acta
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