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One Pot Synthesis of Carboxylated Activated Carbon for Water Purification: A Kinetic Study 一锅法合成水净化用羧化活性炭的动力学研究
IF 1.1 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-08-05 DOI: 10.48317/IMIST.PRSM/MORJCHEM-V8I4.21727
L. Mahardiani, S. Saputro, N. M. Zinki
Modification of a carboxylated activated carbon was obtained by simple one pot heat treatment method. This carboxylated activated carbon was confirmed by its physical and chemical structure. The efficiency of this carboxylated activated carbon was evaluated for adsorption of Cu(II) and Pb(II) based on their kinetic parameters to understand their adsorption mechanism. The pseudo-second-order model was the best fitted to describe the adsorption behavior of Cu(II) and Pb(II) indicating that chemisorption process took place during the adsorption. The adsorption capacity of Cu(II) and Pb(II) of carboxylated activated carbon was higher, which was 0.726 and 1.312 mg g -1 , respectively for CAC and 1.093 and 1.160 mg g -1 , respectively for PAC, compared to pristine AC, which was 0.314 and 0.365 mg g -1 , respectively.
采用简单的一锅热处理方法对羧化活性炭进行了改性。这种羧化活性炭的物理和化学结构得到了证实。基于Cu(II)和Pb(II)的动力学参数评估了这种羧化活性炭对它们的吸附效率,以了解它们的吸附机理。拟二阶模型最适合描述Cu(II)和Pb(II)的吸附行为,表明吸附过程中发生了化学吸附过程。羧化活性炭对Cu(II)和Pb(II)的吸附量较高,CAC分别为0.726和1.312 mg g-1,PAC分别为1.093和1.160 mg g-1。
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引用次数: 0
State of nitric pollution of the Mnasra aquifer, coastal zone of the Gharb plain (Morocco) 摩洛哥加尔布平原海岸带姆纳斯拉含水层氮污染状况
IF 1.1 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-08-05 DOI: 10.48317/IMIST.PRSM/MORJCHEM-V8I4.17149
N. Aziane, M. Larif, Achraf Khaddari, M. Touhami, M. E. T. H. N. M. E. A. Khaddari
Summary Nitrates are highly soluble and highly mobile chemical elements in water. Their presence in groundwater with high concentrations frequently indicates anthropogenic contamination. They come mainly from the massive use of nitrogen fertilizers or unpurified urban waste. A physicochemical characterization of the nitrate and ammonium contents of the waters of the Mnasra aquifer was carried out following the sampling of 70 wells and boreholes during the months of June and July 2017. The results show high concentrations of nitrates, 82.85% of the wells taken will exceed the potability standard (50 mg / l). This is confirmed by the coarse nature and sandy soil texture that can promote nitrate leaching, the low water table in this region (70% of wells with depths less than 20 m), and the massive use of soil. fertilizers and fertilizers. The analysis of temporal trends in nitrate concentrations observed over 23 years showed a significant degradation of the water quality of wells between 1993 and 2017 with excessive levels reaching five to six times the potability limit.
硝酸盐是水溶性强、流动性强的化学元素。它们在高浓度地下水中的存在经常表明存在人为污染。它们主要来自大量使用氮肥或未经净化的城市垃圾。在2017年6月和7月对70口井和钻孔进行采样后,对Mnasra含水层水中的硝酸盐和铵含量进行了物理化学表征。结果表明,硝酸盐浓度高,82.85%的井将超过可饮用性标准(50 mg/l)。粗糙的性质和沙质土壤质地可以促进硝酸盐的浸出,该地区的地下水位较低(70%的水井深度小于20米),以及大量使用土壤,都证实了这一点。肥料和肥料。对23年来观察到的硝酸盐浓度的时间趋势的分析表明,1993年至2017年间,水井的水质显著恶化,超标水平达到可饮用性极限的5至6倍。
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引用次数: 1
Variation of soils erodibility according to physico-chemical and biogeographic parameters in Allal Al Fassi watershed, Middle Atlas, Morocco. 摩洛哥中阿特拉斯地区Allal Al Fassi流域土壤可蚀性随物理化学和生物地理学参数的变化。
IF 1.1 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-07-08 DOI: 10.48317/IMIST.PRSM/MORJCHEM-V8I4.21073
T. Kamel, Abdennasser Baali, A. Couscous, O. Hakam, H. Mesrar, C. A. Babbou
In order to the conservation of soil resources and the preservation of water and biodiversity, the study of the variation of soil erodibility according to physico-chemical and biogeographical parameters in Allal Al Fassi watershed is of great importance. The measurement of soil erodibility according to the Wischmeier and Smith model requiring a series of physico-chemical analyses of several intrinsic soil parameters (texture, structure, permeability, organic matter content, etc.) is performed on 9 transects with 150 samples. The first, the results are combined with the biogeographical parameters of the soils (slope, pedology, lithology and land use) and then are submitted to a multivariate statistical analysis, were able to highlight both the qualitative and quantitative characteristics of the watershed. Soil erodibility in Allal Al Fassi watershed is moderately strong, ranging from 0.05 to 0.38 t. ha. h. ha -1 MJ -1 .m -1 . Statistical analysis shows that soil erodibility (K) is closely related to texture, organic matter content and especially land use. It is more important in farmland, unlike soils occupied by matorral. Soils become more erodible when the silty fraction dominates and clay and organic matter levels decrease.
为了保护土壤资源,保护水资源和生物多样性,根据理化和生物地理参数研究阿勒法西流域土壤可蚀性的变化具有重要意义。根据Wischmeier和Smith模型测量土壤可蚀性,需要对若干内在土壤参数(质地、结构、渗透性、有机质含量等)进行一系列物理化学分析,在9个样带上进行150个样品。首先,将结果与土壤的生物地理参数(坡度、土壤学、岩性和土地利用)相结合,然后进行多元统计分析,能够突出流域的定性和定量特征。Allal Al Fassi流域土壤可蚀性中等,在0.05 ~ 0.38 t / ha之间。h. ha -1 MJ -1。统计分析表明,土壤可蚀性(K)与土壤质地、有机质含量、尤其是土地利用方式密切相关。它在农田中更重要,不像土壤被物质所占据。当粉质部分占主导地位,粘土和有机质水平下降时,土壤变得更容易被侵蚀。
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引用次数: 1
Synthesis of new epoxy glucose derivatives as inhibitor for mild steel corrosion in 1.0 M HCl, Experimental study: Part -1 新型环氧葡萄糖衍生物在1.0M盐酸中缓蚀剂的合成实验研究(上)
IF 1.1 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-07-06 DOI: 10.48317/IMIST.PRSM/MORJCHEM-V8I4.21743
A. Koulou, M. Rbaa, N. Errahmany, F. Benhiba, Y. Lakhrissi, R. Touir, B. Lakhrissi, A. Zarrouk, M. Elyoubi
A two non-toxic biodegradable epoxy glucose derivatives, namely 5,6-anhydro-3-O-octa-1,2-O-isopropyli-dene-α-D-glucofuranose (EGC8) and 5,6-anhydro-3-O-butadecyl-1,2-O-isopropylidene-α-D-glucofuranose (EGC14), were prepared and characterized by using spectroscopic measurements. These products were tested for mild steel corrosion inhibition in 1.0 M HCl using electrochemical measurements. It is shown that these epoxy glucose derivatives affect the cathodic branches with a shift in the cathodic direction (cathodic - type).  So, it found that their inhibition efficiency arise with concentrations to achieve a maximum of 93.2 % and 93.48 % at 10-3 M of EGC8 and EGC14, respectively, and they depends to the carbon number chain following the order : EGC14 > EGC8. Indeed, it is found that these compounds adsorb according the Langmuir’s adsorption isotherm. On the other hand, the temperature effect on the inhibition efficiency of the epoxy glucose derivatives indicated that they take them at high-rise temperature. In addition, the calculated kinetic and thermodynamic parameters have shown that EGC8 act via physical adsorption while EGC14 act via chemical adsorptions, and their process are endothermic and spontaneous.
制备了两种无毒可生物降解的环氧葡萄糖衍生物,即5,6-无水-3- o-辛-1,2- o-异丙烯-α- d -葡萄糖葡萄糖(EGC8)和5,6-无水-3- o-丁烷基-1,2- o-异丙烯-α- d -葡萄糖葡萄糖(EGC14),并通过光谱测量对其进行了表征。用电化学测量方法对这些产品在1.0 M HCl中对低碳钢的缓蚀作用进行了测试。结果表明,这些环氧葡萄糖衍生物对阴极分支的影响是在阴极方向上发生偏移(阴极型)。因此,研究发现,它们的抑制效率随浓度的增加而增加,在EGC8和EGC14的浓度为10-3 M时,其抑制效率最高,分别为93.2%和93.48%,并且与碳数链的顺序有关:EGC14 bb0 EGC8。事实上,我们发现这些化合物的吸附符合Langmuir吸附等温线。另一方面,温度对环氧葡萄糖衍生物缓蚀效率的影响表明它们在高温下进行缓蚀。此外,计算的动力学和热力学参数表明,EGC8通过物理吸附作用,而EGC14通过化学吸附作用,其过程是吸热自发的。
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引用次数: 4
QSAR modeling of antiradical properties of phenolic compounds using DFT calculations 基于DFT计算的酚类化合物抗自由基性质的QSAR建模
IF 1.1 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-07-02 DOI: 10.48317/IMIST.PRSM/MORJCHEM-V8I4.20579
H. Lafridi, A. Oussa, H. Zgou, M. Bouachrine
This paper describes a quantitative structure – activity relationship study of the antiradical properties of 31 flavonoids belonging to different groups such as: flavonols, flavonones, dihydroflavonols and biflavonones. Using density functional theory (DFT) calculations, some structural characteristics such as frontier molecular orbitals, molecular descriptors, have been studied. To gain insights into the chemical structure and property of the studied compounds, many types of descriptors are generated by using DFT/B3LYP 6-31G(d,p) and other software. Also, The Principle Component Analysis (PCA), Multiple Linear and Nonlinear Regression (MLR and MNLR), and Artificial Neural Network (ANN) have been investigated to select the descriptors, and to generate the correlation models that relate the structural feature to the biological activity. The statistical results of the MLR, MNLR, and ANN indicate that the determination coefficient R 2 were 0.811, 0.646, 0.982, respectively. A good correlation coefficient is obtained, and the antiradical activities of these compounds are well predicted. These models are expected to be useful for screening of polyphenolic antioxidants.
本文对黄酮醇、黄酮酮、二氢黄酮醇和双黄酮酮等31种黄酮类化合物的抗自由基性质进行了定量构效关系研究。利用密度泛函理论(DFT)计算,研究了一些结构特征,如前沿分子轨道、分子描述符。为了深入了解所研究化合物的化学结构和性质,使用DFT/B3LYP 6-31G(d,p)和其他软件生成了许多类型的描述符。此外,还研究了主成分分析(PCA)、多元线性和非线性回归(MLR和MNLR)以及人工神经网络(ANN)来选择描述符,并生成将结构特征与生物活性联系起来的相关模型。MLR、MNLR和ANN的统计结果表明,决定系数R2分别为0.811、0.646和0.982。获得了良好的相关系数,并很好地预测了这些化合物的抗自由基活性。这些模型有望用于筛选多酚类抗氧化剂。
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引用次数: 2
Altitude effect on the chemical composition and antioxidant activity of rosemary in the region of Talsint (Morocco). 海拔对摩洛哥Talsint地区迷迭香化学成分和抗氧化活性的影响。
IF 1.1 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-07-02 DOI: 10.48317/IMIST.PRSM/MORJCHEM-V8I4.18311
M. Sabbahi, A. El-Hassouni, A. Tahani, A. EL-BACHIRI
The Rosmarinus officinalis (rosemary) is an evergreen shrub used worldwide for its aromatic and medicinal virtues. It plays an important role in the local economy of Talsint (Eastern Morocco). Even though, forest managers and decision makers are short of information and scientific indicators to accurately understand how the chemical composition of rosemary varies in the region. Hence, the aim of this work is to study the effect of altitude gradient over the chemical composition of the rosemary essential oil and its antioxidant activity.  In this study, eight samples of wild population of rosemary were collected from different altitudes in the High Atlas Mountains in the region of Talsint in order to determine the chemical composition and antioxidant activity of their essential oils. The volatile profiles were determined by Gas chromatography–mass spectrometry (GC-MS), meanwhile, the antioxidant activity to scavenge the free radicals was pointed out by 1,1- diphenyl-1-picrylhydrazyl (DPPH) assay. Based upon our analysis, the major constituents are 1,8-Cineole (50.60-64.27%), Camphor (1.77-14.12%), α-Pinene (6.61-9.02%), and Borneol (1.98-6.20%). Except the 1,8-Cineole, the altitude effect remains unclear for the other constituents. On the other hand, the essential oils of Talsint rosemary showed considerable antioxidant activity.
迷迭香(Rosmarinus officinalis,迷迭香)是一种常绿灌木,因其芳香和药用优点而被世界各地使用。它在Talsint(摩洛哥东部)的当地经济中发挥着重要作用。尽管如此,森林管理者和决策者缺乏信息和科学指标来准确了解迷迭香的化学成分在该地区的变化。因此,本研究的目的是研究海拔梯度对迷迭香精油化学成分及其抗氧化活性的影响。在这项研究中,从塔尔辛特地区高阿特拉斯山脉的不同海拔地区采集了八个野生迷迭香种群样本,以测定其精油的化学成分和抗氧化活性。采用气相色谱-质谱联用(GC-MS)法测定了其挥发性成分,同时用1,1-二苯基-1-双芳基肼(DPPH)法指出了其清除自由基的抗氧化活性。根据我们的分析,主要成分是1,8-Cineole(50.60-64.27%)、樟脑(1.77-14.12%)、α-蒎烯(6.61-9.02%)和婆罗洲(1.98-6.20%)。除1,8-Ciniole外,其他成分的海拔效应尚不清楚。另一方面,Talsint迷迭香的精油表现出相当大的抗氧化活性。
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引用次数: 9
A DFT study of the mechanism and regioselectivity of the reaction between diethyl trichloro-methyl phosphonate and diphenyl methyl phosphinite 三氯膦酸二乙酯与甲基亚磷酸二苯酯反应机理及区域选择性的DFT研究
IF 1.1 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-07-02 DOI: 10.48317/IMIST.PRSM/MORJCHEM-V8I4.20720
A. Barhoumi, M. idrissi, S. Bakkas, A. Zeroual, A. Tounsi, A. Hajbi
The reaction of diethyl trichloro-methyl phosphonate (C1) with diphenyl methyl phosphinite (C2), has been scrutinized within the Density Function Theory at the B3LYP/6-311(d,p) computational level. The regiosomeric reaction paths involving the two center of compound (C1) have been studied. DFT calculations account for the high regioselectivity in the chlorine atom, in complete agreement with the experimental outcomes.
在B3LYP/6-311(d,p)计算水平上,用密度函数理论对三氯膦酸二乙酯(C1)与二苯基甲基亚磷酸酯(C2)的反应进行了研究。研究了涉及化合物(C1)两个中心的区域异构体反应路径。DFT计算解释了氯原子的高区域选择性,与实验结果完全一致。
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引用次数: 1
Techno-economic Analysis for the Production of Silica Particles from Agricultural Wastes 农业废弃物生产二氧化硅颗粒的技术经济分析
IF 1.1 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-07-02 DOI: 10.48317/IMIST.PRSM/MORJCHEM-V8I4.21637
A. Nandiyanto, R. Ragadhita, I. Istadi
The purpose of this study was to evaluate the feasibility studies on the production of silica from agricultural wastes ( i.e. rice husk, rice straw, bagasse, and corn cob) from engineering and economic perspectives. The engineering perspective was done by calculating stoichiometry, mass balance, and the preliminary plant design evaluation, whereas the economic perspective analysis was performed by calculating various economic parameters ( i.e., Gross Profit Margin, Internal Rate Return, Break Even Point, Payback Period, and Cumulative Net Present Value) under various conditions. The results from engineering perspective showed that the project is applicable even in the home-scale production. The project is potentially scaled up since it can be executed using commercially available and inexpensive equipment. Economic analysis showed that various agricultural wastes gave positive impacts on profitability, confirmed by the various economic evaluation parameters. Based on the evaluation from various agricultural wastes, rice husk is the best raw materials for gaining the highest interest, whereas corn cob is the worst. To confirm the analysis, various economic conditions under different raw material costs, utility costs, labor, and sales, as well as taxes, were added into the calculation, and they showed positive values for the potential production of silica particles. Although the evaluation confirmed for the excellent economic parameter values, further analysis of this project must be carried out to determine the uncertainty of conditions existing during the realistic project.
本研究的目的是从工程和经济角度评价利用农业废弃物(稻壳、稻草、甘蔗渣和玉米芯)生产二氧化硅的可行性研究。工程角度的分析是通过计算化学计量学、质量平衡和初步的工厂设计评估来完成的,而经济角度的分析是通过计算各种条件下的各种经济参数(即毛利率、内部收益率、盈亏平衡点、回收期和累积净现值)来进行的。从工程角度看,该方案可适用于家庭规模生产。该项目有可能扩大规模,因为它可以使用商业上可用的廉价设备来执行。经济分析表明,各种农业废弃物对盈利能力产生了积极的影响,各经济评价参数也证实了这一点。通过对各种农业废弃物的评价,稻壳是获得最高利益的最佳原料,玉米芯是获得最高利益的最差原料。为了证实这一分析,我们在计算中加入了不同原材料成本、公用事业成本、人工成本、销售成本和税收下的各种经济条件,它们对二氧化硅颗粒的潜在产量都显示出正值。虽然评价确认了该项目具有良好的经济参数值,但必须对该项目进行进一步分析,以确定实际工程中存在的条件的不确定性。
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引用次数: 11
Malathion determination in Rice samples with Graphene oxide reinforced hollow fiber-solid phase microextraction by GC-MASS 氧化石墨烯增强中空纤维-气相色谱-质谱法测定大米样品中的马拉硫磷
IF 1.1 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-07-02 DOI: 10.48317/IMIST.PRSM/MORJCHEM-V8I3.21644
B. Sefati, M. Masrournia, Z. Es’haghi, M. Bozorgmehr
A method for applicability of the solid phase microextraction (SPME) procedure for determination of trace amounts of the organophosphorus pesticide malathion by gas chromatography - mass spectrometry (GC-MS) was developed. Graphene oxide reinforced sol–gel which was placed in hollow fiber (HF-SPME) was used for pre-concentration of malathion. In the present study the Plackett-Burman (PB) factorial design was used as a method for first monitoring of Eight factors that have a significant impact and optimized them in next stage, optimization process of significant factor was carried out using a five-level CCD after screening by PBD. the following conditions were selected for the analytical method of Malathion in real sample: amount of GO (0.01gr), pH of aqueous solution (pH: 3), volume of aqueous solution (10000 µl), volume of organic solvent (250 µl), adsorption time (35 min), desorption time (30 min), stirring rate of solution (1000 rpm) and amount of salt (4%). Calibration curves were plotted using three spiking levels of malathion in the concentration ranges of 0.2–0.4-0.5 ng/mL with correlation coefficients (r 2 ) 0.9914 for analytes. Under the optimized extraction conditions, the method showed good linearity (0.05–0.5 ng/mL), repeatability, low limits of detections (3.9×10 -3 ng/mL) and excellent pre-concentration factors (4000). The optimum conditions which were evaluated then applied for the analysis of malathion in the rice as a real sample
建立了固相微萃取(SPME)气相色谱-质谱(GC-MS)法测定有机磷农药马拉硫磷的适用性方法。将氧化石墨烯增强的溶胶-凝胶置于中空纤维(HF-SPME)中,用于马拉硫磷的预浓缩。在本研究中,使用Plackett-Burman(PB)因子设计作为对具有显著影响的八个因素进行首次监测的方法,并在下一阶段对其进行优化,在PBD筛选后,使用五级CCD对显著因素进行优化过程。马拉硫磷在真实样品中的分析方法选择了以下条件:GO的量(0.01gr)、水溶液的pH(pH:3)、水溶体的体积(10000µl)、有机溶剂的体积(250µl),吸附时间(35分钟)、解吸时间(30分钟)、溶液的搅拌速度(1000 rpm)和盐的量(4%)。使用0.2–0.4-0.5 ng/mL浓度范围内的三种马拉硫磷加标水平绘制校准曲线,分析物的相关系数(r2)为0.9914。在优化的提取条件下,该方法具有良好的线性(0.05–0.5 ng/mL)、重复性、低检测限(3.9×10-3 ng/mL)和良好的预浓缩因子(4000)。然后将评价的最佳条件应用于实际样品大米中马拉硫磷的分析
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引用次数: 0
Box-Behnken design to enhance the corrosion resistance of high strength steel alloy in 3.5 wt.% NaCl solution Box-Behnken设计提高了高强度钢合金在3.5 wt.% NaCl溶液中的耐腐蚀性
IF 1.1 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-07-02 DOI: 10.48317/IMIST.PRSM/MORJCHEM-V8I4.21594
A. El-Shamy, M. El-Hadek, A. Nassef, R. El-Bindary
Recently, the production of green corrosion inhibitors and green inhibition strategies is highly demanded in the field of science and technology due to the growing demand of green chemistry. Usage of plant extracts as metallic corrosion inhibitors has attracted considerable attention in the last few decades. Plant products are perfect green candidates for replacing traditional toxic corrosion inhibitors. Reduced environmental risk, lower cost, widespread availability and high corrosion inhibition efficiency make plant extracts ideal candidates for the substitution of costly and harmful traditional synthetic corrosion inhibitors. An aqueous extract of plant material Henna (Lawsonia Inermis) powder was used as a corrosion inhibitor to control the corrosion of high strength steel immersed in an aqueous solution containing 35000 ppm Cl − , by electrochemical methods in the absence and presence of the inhibitor. Lawsone is the principal constituent of this plant extract. This has excellent efficiency in inhibition and displays excellent IE at neutral pH. Electro-chemical experiments such as potentiodynamic polarization and impedance were used to describe the mechanistic aspects of corrosion inhibitions. Box-Behnken method was used to investigate the effect of key parameters (i.e. concentration of inhibitors, temperature, and speed of rotation) on the efficiency of inhibition and corrosion rate of high strength steel alloy in 3.5 wt.% NaCl solutions. From electrochemical measurements and statistical analysis, it was found that the efficacy of inhibition improves with higher inhibitor concentration, low rotation speed and low temperature. The Lawsonia Inermis extracted demonstrated strong corrosion inhibition in saline media for high strength steel alloy and reached 81.68.
近年来,由于对绿色化学的需求日益增长,对绿色缓蚀剂和绿色缓蚀策略的生产提出了很高的要求。近几十年来,植物提取物作为金属缓蚀剂的应用引起了人们的广泛关注。植物产品是替代传统有毒缓蚀剂的完美绿色候选产品。低环境风险、低成本、广泛可用性和高缓蚀效率使植物提取物成为替代昂贵且有害的传统合成缓蚀剂的理想选择。用植物材料海娜(Lawsonia Inermis)粉末的水提取物作为缓蚀剂,通过电化学方法控制高强度钢在35000 ppm Cl−水溶液中的腐蚀。Lawsone是这种植物提取物的主要成分。这具有优异的缓蚀效率,并在中性ph下表现出优异的IE。电化学实验,如动电位极化和阻抗,用于描述缓蚀的机理方面。采用Box-Behnken法研究了缓蚀剂浓度、温度、旋转速度等关键参数对高强钢合金在3.5 wt.% NaCl溶液中的缓蚀效率和腐蚀速率的影响。通过电化学测量和统计分析发现,较高的缓蚀剂浓度、较低的转速和较低的温度可以提高缓蚀剂的缓蚀效果。萃取物Lawsonia Inermis在盐水介质中对高强钢合金具有较强的缓蚀作用,缓蚀率达到81.68。
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引用次数: 20
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Moroccan Journal of Chemistry
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