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Synergistic effect of reducing volume expansion and improving electrochemical performance through a LiF-based SEI formation on SiOx/C electrodes 通过在 SiOx/C 电极上形成基于 LiF 的 SEI,实现降低体积膨胀和提高电化学性能的协同效应
IF 6.1 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-30 DOI: 10.1016/j.jiec.2024.08.047
Kyung Soo Kim, In Woo Lee, Bo Kyoung Kim, Tae-Sung Bae, Young-Seak Lee
SiOx/C electrodes are widely used due to their high lithium storage capacities and cycling stabilities. However, the SiOx/C electrode exhibits large volume expansion and unstable SEI layer formation during cycling. In this work, a carbon tetrafluoride (CF) plasma was used to introduce C-F bonds onto the electrode surface to form a LiF-based SEI layer on a SiOx/C electrode (SGE) to improve its mechanical and electrochemical properties. The fluorinated SiOx/C electrode (FSGE) subjected to the CF plasma treatment for 10 min mitigated 2.5 times the volume expansion compared to the SGE by forming a LiF-based SEI layer to increase the mechanical properties. This mitigation of FSGE volume expansion resulted in excellent long-term cycling stability of 83 % for 100 cycles (1C). In addition, the LiF-based SEI layer formed on the FSGE increased the mobility of Li ions, resulting in 1.2 times better cycle stability than that of SGE at a high rate (10C). Thus, the improvement in the electrochemical performance achieved by reducing the volume expansion of SiOx in the electrode and enhancing the Li-ion conductivity was attributed to the stable LiF SEI layer formed with semi-ionic CF bonds introduced by the CF plasma.
SiOx/C 电极具有很高的锂存储容量和循环稳定性,因此被广泛使用。然而,SiOx/C 电极在循环过程中会出现较大的体积膨胀和不稳定的 SEI 层形成。在这项工作中,使用四氟化碳(CF)等离子体在电极表面引入 C-F 键,在 SiOx/C 电极(SGE)上形成锂基 SEI 层,以改善其机械和电化学性能。氟化 SiOx/C 电极(FSGE)经 CF 等离子处理 10 分钟后,通过形成锂基 SEI 层,体积膨胀比 SGE 减小了 2.5 倍,从而提高了机械性能。减轻了 FSGE 体积膨胀后,100 次循环 (1C) 的长期循环稳定性高达 83%。此外,在 FSGE 上形成的 LiF 基 SEI 层提高了锂离子的迁移率,使其在高循环速率(10C)下的循环稳定性比 SGE 高出 1.2 倍。因此,通过降低电极中 SiOx 的体积膨胀和提高锂离子传导性而实现的电化学性能的改善归功于由 CF 等离子体引入的半离子 CF 键形成的稳定的 LiF SEI 层。
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引用次数: 0
Pilot-scale testing of a multi-tube type falling film distillation column equipped with a biphasic thermosyphon as a new alternative for the desalination of brackish water and seawater 对配备双相热流器的多管式降膜蒸馏塔进行中试规模测试,以此作为苦咸水和海水淡化的新替代方案
IF 6.1 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-30 DOI: 10.1016/j.jiec.2024.08.044
José Luiz Francisco Alves, Samaira Kraus, Eduardo Carpes Dib, Guilherme Davi Mumbach, Ricardo Antonio Francisco Machado, Cintia Marangoni
This paper proposes an innovative technology for desalinating brackish water and seawater using a multi-tube type falling film distillation column integrated with a biphasic thermosyphon. Based on the literature survey, this proposal has not been previously explored. In this study, the viability of the pilot-scale application of this technology for desalination was tested, and the process performance was evaluated in terms of distillate flow rate, salinity removal, and energy consumption, considering different experimental conditions. Synthetic solutions containing 10.0 and 35.0 g/L of sodium chloride were used to simulate brackish water and seawater salinities, respectively. The thermal desalination pilot plant integrating a compact falling film distillation column and a biphasic thermosyphon demonstrated high effectiveness, consistently producing desalinated water with a conductivity below 10 μS cm. Considering both concentrations, the optimal condition for desalinated water production was a feed temperature of 85 °C, a vapor chamber temperature of 121 °C, and an energy consumption of 16 kW. This new technological option’s energy consumption is approximately 33 % lower than that of a simulated flash distillation column operating under similar conditions. In conclusion, this study presents promising results, establishing falling film distillation technology as a viable alternative for desalinating brackish water and seawater.
本文提出了一种利用多管式降膜式蒸馏塔与双相热流器相结合来淡化苦咸水和海水的创新技术。根据文献调查,这一建议以前从未被探讨过。本研究测试了该技术在海水淡化中试规模应用的可行性,并根据不同的实验条件,从蒸馏物流速、盐度去除率和能耗等方面评估了工艺性能。合成溶液中分别含有 10.0 和 35.0 克/升的氯化钠,用于模拟苦咸水和海水的盐度。集成了紧凑型降膜蒸馏塔和双相热吸附器的热淡化中试设备表现出很高的效率,能稳定地生产出电导率低于 10 μS cm 的淡化水。考虑到两种浓度,生产淡化水的最佳条件是进水温度为 85 °C,蒸汽室温度为 121 °C,能耗为 16 千瓦。这种新技术方案的能耗比模拟闪蒸塔在类似条件下的能耗低约 33%。总之,这项研究取得了可喜的成果,将降膜式蒸馏技术确立为淡化苦咸水和海水的可行替代技术。
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引用次数: 0
Study of anti-corrosion epoxy resin coatings with high corrosion resistance and mechanical performance based on quantum dots 基于量子点的高耐腐蚀性和机械性能环氧树脂防腐涂料的研究
IF 6.1 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-30 DOI: 10.1016/j.jiec.2024.08.053
Haixian Liu, Zhengyu Jin, Jiaping Wang, Lifang Wang, Hongfang Liu, Hongwei Liu
The corrosion of steel construction in marine environments faces severe corrosion threats, and coatings based on nanofillers are an effective strategy for steel corrosion protection. However, the related studies of the anti-corrosion coatings based on quantum dots are still poor. In this work, CuS and ZnS quantum dots (QD) were initially synthesized, and epoxy resin (EP) coatings containing QD with ratios of 0.05 wt%, 0.1 wt%, 0.2 wt%, and 0.5 wt% were successfully prepared subsequently. Surface analysis, electrochemical measurements, salt spray tests, and mechanical tensile tests were performed to characterize the prepared quantum dots and study the anti-corrosion behavior and mechanism of the prepared coatings. Results indicated that the prepared CuS and ZnS quantum dots have small sizes with values of 13.8 and 8.9 nm, respectively. Compared to the pure EP coating, QD-EP coatings have a higher mechanical strength and toughness which is conducive to improving the coatings’ corrosion resistance and service life. The impedance values of all the QD-EP coatings increase by more than three orders of magnitude in contrast to pure EP coating after 60 d of testing. Furthermore, the prepared QD-EP coatings possess a long-term anti-corrosion property.
海洋环境中的钢结构腐蚀面临着严重的腐蚀威胁,基于纳米填料的涂层是钢结构防腐的有效策略。然而,基于量子点的防腐涂层的相关研究仍然较少。本研究初步合成了 CuS 和 ZnS 量子点(QD),并成功制备了含 QD 比例为 0.05 wt%、0.1 wt%、0.2 wt% 和 0.5 wt% 的环氧树脂(EP)涂层。通过表面分析、电化学测量、盐雾试验和机械拉伸试验,对制备的量子点进行了表征,并研究了所制备涂层的防腐蚀行为和机理。结果表明,制备的 CuS 和 ZnS 量子点尺寸较小,分别为 13.8 纳米和 8.9 纳米。与纯 EP 涂层相比,QD-EP 涂层具有更高的机械强度和韧性,有利于提高涂层的耐腐蚀性和使用寿命。与纯 EP 涂层相比,所有 QD-EP 涂层在测试 60 d 后的阻抗值都增加了三个数量级以上。此外,制备的 QD-EP 涂层还具有长期防腐蚀性能。
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引用次数: 0
A review of acid-induced sludge formation and dominant parameters 酸引起的污泥形成及主要参数综述
IF 6.1 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-29 DOI: 10.1016/j.jiec.2024.08.043
Pedram Kalhori, Ahmad Abbasi, M. Reza Malayeri
Acid stimulation has proved efficacy in improving the production of crude oil; however, inappropriate design of acid job can lead to a new type of formation damage, including rigid film acid-crude oil emulsion and acid-induced sludge formation, which are caused due to incompatibility of the injected acid and the crude oil. A variety of influential parameters on the amount of formed acid-induced sludge have been identified including crude oil properties and its components, injected acid concentration and its type, iron ions presence, volumetric ratio of acid and crude oil, chemical additives, and temperature. It is indispensable to examine reliably the potential damage relating to reservoir conditions and to adjust the operating conditions of injection process for an appropriate acid job. It has been endeavored in this paper to provide a comprehensive review of acid-induced sludge, its formation and underlying mechanisms, dominant parameters such as the properties of aqueous and organic phases, operating conditions, experimental methods for sludge evaluation and their challenges, and finally approaches to prevent sludge formation. Thorough analysis of these parameters would serve as a guideline for the production engineers to minimize the operating costs and to improve the acid job effectiveness.
事实证明,酸刺激在提高原油产量方面效果显著;然而,不恰当的酸作业设计会导致一种新型的地层破坏,包括硬膜酸-原油乳状液和酸诱发淤泥的形成,这是由于注入的酸与原油不相容造成的。目前已经确定了多种对酸致淤泥形成量有影响的参数,包括原油性质及其组分、注入酸浓度及其类型、铁离子的存在、酸与原油的体积比、化学添加剂和温度。可靠地检查与油藏条件有关的潜在损害,并调整注入工艺的操作条件以进行适当的酸作业是必不可少的。本文试图对酸引起的淤泥、淤泥的形成和基本机制、主要参数(如水相和有机相的性质)、操作条件、淤泥评估的实验方法及其挑战,以及防止淤泥形成的方法进行全面回顾。对这些参数的透彻分析将为生产工程师提供指导,以最大限度地降低运营成本并提高酸作业的有效性。
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引用次数: 0
Microreactor technology applied to catalytic processing of Hydrogen: A review 应用于氢催化处理的微反应器技术:综述
IF 6.1 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-28 DOI: 10.1016/j.jiec.2024.08.048
João Lameu da Silva Jr., Harrson Silva Santana, Maximilian Joachim Hodapp
Microreactor Technology (MRT) represents a significant leap forward in chemical process intensification (PI), offering distinct advantages over conventional macroscale methods. The utilization of microfluidic reactors for PI has transformed various industries by enabling efficient handling of reactions and precise control of operating conditions, by advantages encompassing the reduced consumption of samples, reactants and catalysts, enhancement of heat and mass transfer rates, inherent from the high surface area to volume ratio. Despite the advances in the field, challenges remain, particularly concerning the manufacturing costs associated with scale-up and numbering-up, especially in catalytic processes. Effectively transitioning from microscale to industrial-scale production demands careful Research and Development (R&D) and innovative strategies to preserve the enhanced mixing and reaction capabilities inherent to microscale technologies. The scale-up of catalytic processes using microfluidic-based devices introduces distinct challenges, including managing heat transfer and ensuring optimal flow distribution. This review addressed promising developments in critical strategies to overcoming these challenges, such as the optimization of reactor block and flow distributors that can be initially performed by Computational Fluid Dynamics (CFD). Moreover, achieving effective thermal management in microreactor systems necessitates a balance between heat removal from reactors and minimizing heat dissipation into the surroundings. Innovative techniques such as 3D printing for customizable designs, coupled with numerical simulations to refine geometries, play fundamental roles in overcoming these challenges. MRT alongside innovation in the catalyst field holds great potential in the application of microfluidic-based devices in PI of catalytic processes and can contribute significantly for more sustainable processes.
微反应器技术(MRT)是化学过程强化(PI)领域的一次重大飞跃,与传统的宏观方法相比具有明显的优势。利用微流体反应器进行 PI 已改变了各行各业,它可以高效处理反应和精确控制操作条件,其优势包括减少样品、反应物和催化剂的消耗,提高传热和传质速率,这些都是高表面积与体积比所固有的。尽管在该领域取得了进步,但挑战依然存在,特别是与放大和编号相关的制造成本,尤其是在催化过程中。要有效地从微米级生产过渡到工业级生产,就必须进行精心的研究与开发(R&D),并采取创新战略,以保持微米级技术固有的增强混合和反应能力。使用基于微流控装置的催化过程放大带来了独特的挑战,包括管理热传递和确保最佳流量分布。本综述探讨了克服这些挑战的关键策略的发展前景,如反应器区块和流动分布器的优化,最初可通过计算流体动力学(CFD)来实现。此外,要在微反应器系统中实现有效的热管理,必须在反应器排热和尽量减少向周围散热之间取得平衡。用于定制设计的 3D 打印等创新技术,以及用于完善几何形状的数值模拟,在克服这些挑战方面发挥着根本性的作用。MRT 与催化剂领域的创新一起,在催化过程的 PI 中应用基于微流体的设备方面具有巨大潜力,并能为更可持续的过程做出重大贡献。
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引用次数: 0
A review on generation, composition, and valorization of dairy processing sludge: A circular economy-based sustainable approach 乳制品加工污泥的产生、组成和价值评估综述:基于循环经济的可持续方法
IF 6.1 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-28 DOI: 10.1016/j.jiec.2024.08.045
Jyotishikha Mohapatra, Ramesh Kumar, Bikram Basak, Rijuta Ganesh Saratale, Ganesh Dattatraya Saratale, Amrita Mishra, Suraj K. Tripathy, Byong-Hun Jeon, Sankha Chakrabortty
This dairy industry has grown considerably in the last decade to meet the increasing requirements of the ever-rising human population. Large volumes of solid waste are generated during the processing of dairy wastewater, known as dairy processing sludge (DPS). Organic and inorganic chemicals, carbon, nitrogen, phosphorus, chlorides, sulfides, fats, oils, and grease comprise most of the DPS. Discharging untreated DPS into surrounding water sources harms the environment because of its elevated organic contents. Alternatively, the DPS can potentially be transformed into struvite, char, and ash with some fertilizer equivalence values. DPS contains heavy metals, pathogens, and synthetic organic compounds (hormones and pesticides) and requires pretreatment before its direct application as a fertilizer equivalent. DPS can be effectively treated by non-conventional methods, such as earthworms converting it into nutrient-rich fertilizer. Moreover, circular economy principles can be fulfilled by recycling DPS into value-added products, such as bacterial growth media for rhizobia, stabilizing contaminated soil for growing biofuel plants (e.g., ), and further used as a potential substrate for biodiesel production. This review elucidates the generation, composition, treatments, and opportunities for reusing DPS in a sustainable and eco-friendly manner that minimizes environmental pollution and identifies important future research prospects.
在过去的十年中,乳制品行业得到了长足的发展,以满足不断增长的人口日益增长的需求。在乳制品废水处理过程中会产生大量固体废物,即乳制品加工污泥(DPS)。有机和无机化学物质、碳、氮、磷、氯化物、硫化物、脂肪、油和油脂是 DPS 的主要成分。由于 DPS 中的有机物含量较高,未经处理就排放到周围水源中会对环境造成危害。另外,DPS 有可能转化为具有一定肥料等值的硬石膏、焦炭和灰烬。DPS 含有重金属、病原体和合成有机化合物(激素和杀虫剂),在直接用作肥料当量之前需要进行预处理。DPS 可通过非常规方法进行有效处理,例如通过蚯蚓将其转化为营养丰富的肥料。此外,通过将 DPS 循环利用为增值产品,如根瘤菌的细菌生长培养基、稳定受污染土壤以种植生物燃料植物(如),以及进一步用作生产生物柴油的潜在基质,可实现循环经济原则。本综述阐明了 DPS 的产生、组成、处理方法以及以可持续和生态友好的方式重新利用 DPS 的机会,从而最大限度地减少环境污染,并指出了未来的重要研究前景。
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引用次数: 0
Eco-friendly corrosion inhibition of steel using phenolic compounds from Cynara syriaca 利用西洋菜中的酚类化合物对钢铁进行环保型缓蚀处理
IF 5.9 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-27 DOI: 10.1016/j.jiec.2024.08.038
Meriem Kemel
This study evaluates the corrosion inhibition performance of the n-butanol (n-BuOH) fraction derived from Cynara syriaca on mild steel in acidic environments. The n-BuOH fraction achieved up to 94 % inhibition at 500 ppm, as assessed through gravimetric analysis, potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS). Key phenolic compounds, including kaempferol, naringenin, myricetin, chlorogenic acid, and quercetin, were identified by UPLC-MS/MS. These compounds form stable flavonoid-metal complexes, as confirmed by UV–Vis spectroscopy. FT-IR and SEM-EDS analyses revealed the formation of protective coatings and interactions with the steel surface. Polarization curves indicate that the n-BuOH fraction acts as a mixed-type inhibitor, predominantly affecting the anodic reaction. The inhibition efficiency decreased from 94.14 % to 73.43 % with increasing temperatures. Thermodynamic analysis showed an increase in activation energy (Ea = 58.20 kJ/mol) and a positive ΔH value of 56.17 kJ/mol, which can be attributed to the increased thickness of the double layer, enhancing the activation energy of the corrosion process. A Gibbs free energy (ΔG0ads) value of −25.48 kJ/mol confirms that the adsorption process is spontaneous and involves both physisorption and chemisorption. pKa analysis identified specific adsorption sites. This research underscores the potential of the n-BuOH fraction as a novel, eco-friendly corrosion inhibitor, offering valuable insights for sustainable corrosion control strategies.
本研究评估了从西洋菜(Cynara syriaca)中提取的正丁醇(n-BuOH)馏分在酸性环境中对低碳钢的缓蚀性能。通过重量分析、电位极化(PDP)和电化学阻抗光谱(EIS)评估,正丁醇馏分在 500 ppm 时的缓蚀效果高达 94%。通过 UPLC-MS/MS,确定了主要的酚类化合物,包括山奈酚、柚皮苷、杨梅素、绿原酸和槲皮素。紫外可见光谱法证实,这些化合物形成了稳定的类黄酮-金属复合物。傅立叶变换红外光谱(FT-IR)和扫描电子显微镜(SEM-EDS)分析表明了保护层的形成以及与钢表面的相互作用。极化曲线表明,正丁醇部分是一种混合型抑制剂,主要影响阳极反应。随着温度的升高,抑制效率从 94.14% 降至 73.43%。热力学分析表明,活化能(Ea = 58.20 kJ/mol)增加,ΔH 值为 56.17 kJ/mol,这可能是由于双层厚度增加,提高了腐蚀过程的活化能。吉布斯自由能(ΔG0ads)值为 -25.48 kJ/mol,这证实了吸附过程是自发的,同时涉及物理吸附和化学吸附。这项研究强调了正丁醇馏分作为一种新型环保缓蚀剂的潜力,为可持续腐蚀控制策略提供了宝贵的见解。
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引用次数: 0
Nanoarchitectonics of porous carbon derived from urea-impregnated microporous triazine polymer in KOH activator for adsorptive removal of sulfonamides from water KOH活化剂中尿素浸渍微孔三嗪聚合物衍生多孔碳的纳米结构,用于吸附去除水中的磺胺类药物
IF 6.1 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-26 DOI: 10.1016/j.jiec.2024.08.041
Imteaz Ahmed, Sung Hwa Jhung
A microporous covalent-organic polymer (triazine polymer, referred to as MCTP), was synthesized and subsequently carbonized, after loading urea and KOH (serving as an additional nitrogen source and activator, respectively), through high-temperature pyrolysis. This process resulted in materials named KUCDCs, which exhibited high porosity and a broader range of pore sizes compared to carbon materials produced without the addition of urea and KOH, referred to as CDC. KUCDCs, CDC, and commercially available activated carbon (AC) were evaluated for their ability to remove sulfonamide drugs, sulfamethoxazole (SMX) and sulfachlorpyridazine (SCP), from aqueous solution. Among these materials, KUCDC-800, which was carbonized at a temperature of 800 °C, demonstrated superior adsorption performances for sulfonamides, attributed to its high porosity, nitrogen content, and presence of surface oxygen groups. The adsorption capacities for SMX and SCP on KUCDC were notably higher than those on AC and MDC, with maximum capacities () of 619 and 554 mg/g for SMX and SCP, respectively. Notably, KUCDC-800 stands out as a recyclable adsorbent with the highest reported for SMX to date under near-neutral conditions. The exceptional performance of KUCDC in adsorbing SMX could be explained by its high porosity and surface functionalities for hydrogen bonding interactions with the adsorbate.
合成了一种微孔共价有机聚合物(三嗪聚合物,简称 MCTP),并在加入尿素和 KOH(分别作为额外的氮源和活化剂)后,通过高温热解进行碳化。与未添加尿素和 KOH 的碳材料(称为 CDC)相比,KUCDCs 具有高孔隙率和更宽的孔径范围。我们对 KUCDCs、CDC 和市售活性炭 (AC) 从水溶液中去除磺胺类药物(磺胺甲噁唑 (SMX) 和磺胺氯哒嗪 (SCP))的能力进行了评估。在这些材料中,在 800 °C 温度下碳化的 KUCDC-800 对磺胺类药物具有卓越的吸附性能,这归功于它的高孔隙率、氮含量和表面氧基团的存在。KUCDC 对 SMX 和 SCP 的吸附容量明显高于 AC 和 MDC,SMX 和 SCP 的最大吸附容量()分别为 619 和 554 mg/g。值得注意的是,KUCDC-800 是一种可回收的吸附剂,在接近中性的条件下,其对 SMX 的吸附量是迄今为止报告的最高值。KUCDC 在吸附 SMX 方面的优异性能可归因于它的高孔隙率以及与吸附剂发生氢键相互作用的表面功能。
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引用次数: 0
Synthesis, characterization, theoretical, and experimental evaluation of novel imidazolone − based compounds as eco-friendly corrosion inhibitors for mild steel 作为低碳钢环保型缓蚀剂的新型咪唑啉酮化合物的合成、表征、理论和实验评估
IF 5.9 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-26 DOI: 10.1016/j.jiec.2024.08.042
W. Ettahiri , A. El Moutaouakil Ala Allah , J. Lazrak , E.H. Safir , K.K. Yadav , B. Hammouti , A.J. Obaidullah , Z. Rais , Y. Ramli , M. Taleb
This study investigates the corrosion inhibition properties of two newly synthesized namely (E)-2-(2-benzylidenehydrazineyl)-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one denoted Ph-DDI and (E)-2-(2-(4-methylbenzylidene)hydrazineyl)-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one denoted CH3Ph-DDI, on mild steel (MS) in a 1 M HCl solution. These compounds demonstrated high inhibition efficiencies of 98.3 % and 98.7 %, respectively. Structural characterization was performed using FT-IR, 1H NMR, 13C NMR, and HRMS-ESI. Theoretical evaluations indicated high reactivity and potent inhibition capacity. Electrochemical tests confirmed a concentration-dependent inhibition effectiveness up to 328 K. Adsorption studies suggested that the compounds displace water molecules to form an adsorbed protective layer. Microscopy analysis provided insights into the corrosion inhibition mechanisms, confirming the formation of protective layers and iron/inhibitor complexes. Further molecular structure analysis using Monte Carlo (MC) simulations and density functional theory (DFT) calculations elucidated the structural features contributing to the compounds’ effective corrosion inhibition properties.
本研究探讨了两种新合成物,即(E)-2-(2-亚苄基肼基)-5,5-二苯基-3,5-二氢咪唑-4-酮和(E)-2-(2-(4-甲基亚苄基)肼基)-5,5-二苯基-3,5-二氢咪唑-4-酮在 1 M HCl 溶液中对低碳钢 (MS) 的缓蚀性能。这些化合物的抑制率分别高达 98.3% 和 98.7%。利用 FT-IR、H NMR、C NMR 和 HRMS-ESI 进行了结构表征。理论评估表明,该化合物具有很高的反应活性和很强的抑制能力。吸附研究表明,这些化合物取代了水分子,形成了吸附保护层。显微镜分析深入揭示了腐蚀抑制机制,证实了保护层和铁/抑制剂复合物的形成。利用蒙特卡罗(MC)模拟和密度泛函理论(DFT)计算进行的进一步分子结构分析阐明了化合物有效缓蚀特性的结构特征。
{"title":"Synthesis, characterization, theoretical, and experimental evaluation of novel imidazolone − based compounds as eco-friendly corrosion inhibitors for mild steel","authors":"W. Ettahiri ,&nbsp;A. El Moutaouakil Ala Allah ,&nbsp;J. Lazrak ,&nbsp;E.H. Safir ,&nbsp;K.K. Yadav ,&nbsp;B. Hammouti ,&nbsp;A.J. Obaidullah ,&nbsp;Z. Rais ,&nbsp;Y. Ramli ,&nbsp;M. Taleb","doi":"10.1016/j.jiec.2024.08.042","DOIUrl":"10.1016/j.jiec.2024.08.042","url":null,"abstract":"<div><div>This study investigates the corrosion inhibition properties of two newly synthesized namely (E)-2-(2-benzylidenehydrazineyl)-5,5-diphenyl-3,5-dihydro-<em>4H</em>-imidazol-4-one denoted <strong>Ph-DDI</strong> and (E)-2-(2-(4-methylbenzylidene)hydrazineyl)-5,5-diphenyl-3,5-dihydro-<em>4H</em>-imidazol-4-one denoted <strong>CH<sub>3</sub>Ph-DDI</strong>, on mild steel (MS) in a 1 M HCl solution. These compounds demonstrated high inhibition efficiencies of 98.3 % and 98.7 %, respectively. Structural characterization was performed using FT-IR, <sup>1</sup>H NMR, <sup>13</sup>C NMR, and HRMS-ESI. Theoretical evaluations indicated high reactivity and potent inhibition capacity. Electrochemical tests confirmed a concentration-dependent inhibition effectiveness up to 328 K. Adsorption studies suggested that the compounds displace water molecules to form an adsorbed protective layer. Microscopy analysis provided insights into the corrosion inhibition mechanisms, confirming the formation of protective layers and iron/inhibitor complexes. Further molecular structure analysis using Monte Carlo (MC) simulations and density functional theory (DFT) calculations elucidated the structural features contributing to the compounds’ effective corrosion inhibition properties.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"140 ","pages":"Pages 631-646"},"PeriodicalIF":5.9,"publicationDate":"2024-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142227914","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comparative analysis of lead and cadmium extraction capacities of hydrophobic deep eutectic solvents 疏水性深共晶溶剂的铅镉萃取能力对比分析
IF 6.1 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-25 DOI: 10.1016/j.jiec.2024.08.033
Irfan Wazeer, Lahssen El blidi, Sarwono Mulyono, Ahmed Halilu, Hanee Farzana Hizaddin, Mohd Ali Hashim, Mohamed K. Hadj-Kali
In this study, a total of eight hydrophobic deep eutectic solvents (HDESs) were prepared and evaluated for their efficacy in extracting lead and cadmium from aqueous solutions. The physical and thermal properties of these HDESs were characterized. Among the HDESs tested, the thymol:decanoic acid system, with a molar ratio of 1:1, exhibited the highest distribution ratios for lead and cadmium, with values of 0.79 and 0.55, respectively. The extraction performance of the thymol:decanoic acid system was further investigated by considering various factors such as contact time, pH, mass ratio of water to HDES, and HDES molar ratio. After optimization, the thymol:decanoic acid HDES demonstrated significantly improved extraction efficiency for lead (up to 93.49 %) and cadmium (up to 76.70 %) at initial concentrations of 1000 ppm and 100 ppm, respectively. The extraction mechanism was found to be primarily driven by the complexation and partitioning effects of thymol:decanoic acid with lead or cadmium, as confirmed by the noticeable changes in harmonic frequencies (730, 1337, and 1515 cm) observed in the IR spectra analysis before and after extraction. Additionally, the performance of the thymol:decanoic acid HDES was evaluated through solvent regeneration using a multi-stage extraction and reuse approach.
本研究共制备了八种疏水性深共晶溶剂(HDES),并评估了它们从水溶液中萃取铅和镉的功效。对这些 HDES 的物理和热性能进行了表征。在测试的 HDES 中,摩尔比为 1:1 的百里酚:癸酸体系对铅和镉的分布比率最高,分别为 0.79 和 0.55。通过考虑接触时间、pH 值、水与 HDES 的质量比和 HDES 摩尔比等因素,进一步研究了百里酚癸酸体系的萃取性能。经过优化后,在初始浓度分别为 1000 ppm 和 100 ppm 时,百里酚:癸酸 HDES 对铅和镉的萃取效率有了显著提高,分别达到 93.49% 和 76.70%。萃取前后红外光谱分析中观察到的谐波频率(730、1337 和 1515 厘米)的明显变化证实,萃取机理主要是由百里酚癸酸与铅或镉的络合和分配效应驱动的。此外,还采用多级萃取和再利用方法,通过溶剂再生对百里酚癸酸 HDES 的性能进行了评估。
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引用次数: 0
期刊
Journal of Industrial and Engineering Chemistry
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