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Construction of Mott-Schottky hetero-interface in Ag/Ni-ferrite nanowire with rice husk-derived carbon powder in double layer configuration for enhancing radar-absorption performance 双层稻壳碳粉在银/镍铁氧体纳米线中构建Mott-Schottky异质界面以增强雷达吸收性能
IF 5.9 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-09-17 DOI: 10.1016/j.jiec.2025.09.027
Ali A. Rajhi , Alaauldeen A. Duhduh
The exact manipulation of the interfacial electric field is a crucial aspect in enhancing the electromagnetic wave absorption efficiency during the manufacturing of optimized and adjustable absorbers. Furthermore, achieving superior electromagnetic wave absorption necessitates the synergistic interaction between commencing various loss mechanisms and maintaining appropriate impedance matching. This work utilizes in-situ solvothermal synthesis to deposit Ni-ferrite nano-powder onto silver nanowire surfaces with Schottky contact, while simultaneously producing Rice Husk-Derived Carbon Powder by a simple pyrolysis process, to create a novel double-layer absorber. The dual-layer absorber optimizes the interaction between various attenuation techniques and impedance matching by establishing widely used heterointerfaces and diverse energy level arrangements. The design optimization of the two-layer absorber, specifically through the modification of each layer’s thickness, yielded an absorption bandwidth encompassing the entire examined frequency range, with a minimum reflection coefficient of −50.1 dB attained at 14.6 GHz for an overall thickness of 1.2 mm. The findings reveal that the plentiful heterogeneous interfaces and multiple polarization centers in the double-layer absorber, combined with the Mott-Schottky heterointerface in Ag/Ni-ferrite nanowires, markedly accelerate electron migration, facilitating the development of built-in electric fields (BIEFs) and improving dielectric loss, polarization relaxation characteristics, and magnetic loss.
在优化可调吸波器的制造过程中,界面电场的精确控制是提高电磁波吸收效率的关键。此外,实现优异的电磁波吸收需要启动各种损耗机制和保持适当的阻抗匹配之间的协同作用。本研究利用原位溶剂热合成技术将镍铁氧体纳米粉末沉积在具有肖特基接触的银纳米线表面,同时通过简单的热解工艺生产稻壳衍生碳粉,以创建一种新型的双层吸收剂。双层吸收器通过建立广泛使用的异质界面和不同的能级排列,优化了各种衰减技术之间的相互作用和阻抗匹配。两层吸收器的设计优化,特别是通过修改每层的厚度,产生了包含整个检测频率范围的吸收带宽,在14.6 GHz时,总厚度为1.2 mm,反射系数最小为- 50.1 dB。研究结果表明,双层吸收层中丰富的非均相界面和多个极化中心,结合Ag/ ni -铁氧体纳米线中的Mott-Schottky异质界面,显著加速了电子迁移,促进了内置电场(BIEFs)的发展,改善了介电损耗、极化弛豫特性和磁损耗。
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引用次数: 0
Corrigendum to “Ligand imprinted composite adsorbent for effective Ni(II) ion monitoring and removal from contaminated water”. [J. Ind. Eng. Chem. 131 (2024) 585–592] 配体印迹复合吸附剂用于有效监测和去除污染水中的Ni(II)离子。[J。印第安纳州,Eng。化学。131 (2024)585-592]
IF 5.9 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-09-04 DOI: 10.1016/j.jiec.2025.08.048
Mrs Eti Awual , Md. Shad Salman , Md. Munjur Hasan , Md. Nazmul Hasan , Khadiza Tul Kubra , Md. Chanmiya Sheikh , Adiba Islam Rasee , Ariyan Islam Rehan , R.M. Waliullah , Mohammed Sohrab Hossain , Hadi M. Marwani , Abdullah M. Asiri , Mohammed M. Rahman , Aminul Islam , Md. Abdul Khaleque , Md. Rabiul Awual
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引用次数: 0
Corrigendum to “Supramolecular charge-reversal pillar[6]arenes-oxaliplatin system for cancer therapy with reduced toxicity and enhanced efficacy”. [J. Industr. Eng. Chem. 150 (2025) 632–64] “用于降低毒性和提高疗效的癌症治疗的超分子电荷反转柱[6]芳烃-奥沙利铂系统”的更正。[J。从事工业。Eng。化学。150 (2025)632-64]
IF 5.9 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-09-02 DOI: 10.1016/j.jiec.2025.08.040
Ping Yang , Kairong Zhao , Shuai Zhao , Wenjing Wang , Yonggan Xue , Jun Nie , Yincheng Chang , Jingyi Yan
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引用次数: 0
Exploring the synergistic effects of rGO and MWCNT in NiO-based mesoporous hybrid nanostructures for supercapacitor applications 探索氧化石墨烯和MWCNT在镍基介孔杂化纳米结构中用于超级电容器的协同效应
IF 5.9 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-09-02 DOI: 10.1016/j.jiec.2025.09.001
Govindan Suresh Kumar , Selvaraj Ranjith Priyan , Srinivasan Surendhiran , Srinivasan Ramalingam , Raji Atchudan , Nguyen Van Minh , Mohammed Mujahid Alam
In this study, we present a microwave-assisted synthesis to produce NiO, MWCNT@NiO, and rGO@NiO hybrid nanostructures efficiently. Comprehensive characterizations, including XRD, FTIR, FESEM, TEM, EDX, and BET confirmed the formation and structural integrity of MWCNT@NiO and rGO@NiO nanostructures. The nanostructures’ electrochemical efficiency was examined in a 2 M KOH electrolyte. The specific capacitance of the rGO@NiO nanostructure is found to be the highest, with 491F/g at a current density of 1 A/g, compared to pure NiO (255F/g) and MWCNT@NiO (370F/g). This greater performance comes from the collaborative properties of the reduced graphene oxide, providing better ion diffusion, charge transfer efficiency, and active surface area with exemplary stability of capacitance of 91 % after 5000 cycles, which is much better cycling and mechanical stability than that of MWCNT@NiO and pure NiO. Furthermore, the electrochemical performance of the rGO@NiO ASC device was assessed using 1 M KOH as the electrolyte throughout a potential range of 0 to 1.2 V. At a current density of 1A/g, the device provided 31.92 Wh/kg energy density and 599.96 W/kg power density. The ASC device demonstrated good charge–discharge behavior, indicating superior capacitance properties and efficient ion transport. Thus, the rGO@NiO hybrid nanostructure can be a potential material for supercapacitor applications.
在这项研究中,我们提出了一种微波辅助合成方法来高效地制备NiO, MWCNT@NiO和rGO@NiO杂化纳米结构。通过XRD、FTIR、FESEM、TEM、EDX和BET等综合表征,证实了MWCNT@NiO和rGO@NiO纳米结构的形成和结构完整性。在2 M KOH电解液中考察了纳米结构的电化学效率。与纯NiO (255F/g)和MWCNT@NiO (370F/g)相比,rGO@NiO纳米结构的比电容最高,在电流密度为1 a /g时为491F/g。这种更好的性能来自于还原氧化石墨烯的协同特性,提供更好的离子扩散、电荷转移效率和活性表面积,在5000次循环后电容稳定性为91%,这比MWCNT@NiO和纯NiO的循环和机械稳定性要好得多。此外,在0 ~ 1.2 V电位范围内,以1 M KOH作为电解液,对rGO@NiO ASC器件的电化学性能进行了评估。在1A/g电流密度下,器件的能量密度为31.92 Wh/kg,功率密度为599.96 W/kg。ASC器件表现出良好的充放电性能,显示出优越的电容性能和高效的离子传输。因此,rGO@NiO混合纳米结构可以成为超级电容器应用的潜在材料。
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引用次数: 0
Hierarchical NiFe-LDH@ZIF-67 with optimized pore chemistry for multi-pollutant adsorption: Integrating DFT and machine learning for industrial water remediation 分层NiFe-LDH@ZIF-67与优化孔隙化学多污染物吸附:集成DFT和机器学习的工业水修复
IF 5.9 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-09-01 DOI: 10.1016/j.jiec.2025.08.055
Sadaf Mutahir , Gull-e-Rukhsar , Arslan Khurram , Muhammad Asim Khan , Zill E Huma , Yuan Qunhui , Eman Alzahrani
This study develops a NiFe-LDH@ZIF-67 composite for efficient co-adsorption of methyl green (MG, 239.05 mg/g) and oxytetracycline (OTC, 147.39 mg/g) in various water matrices. Comprehensive characterization (FTIR, SEM-EDS, XRD, XPS, TGA) confirmed the material’s structural integrity. Adsorption followed pseudo-second-order kinetics (R2 > 0.98) and Langmuir isotherms, with MG showing higher affinity due to stronger electrostatic and π-π interactions. Real-water tests demonstrated superior performance in tap water (231.34 mg/g) versus lake water (209.61 mg/g), with faster kinetics (α = 899.501 vs 485.279). The composite exhibited excellent reusability (>95 % efficiency after 5 cycles) and stability post-regeneration. Computational studies revealed binding energies of −1.54 eV (MG) and −1.21 eV (OTC), with hydrogen bonding (N/OH···O) driving preferential adsorption of MG. An optimized ANN model predicted optimal conditions (pH 6, 40 °C) with < 5 % error, facilitating industrial scale-up. The work combines experimental validation with multiscale simulations (DFT/Monte Carlo) to establish structure–property relationships, while machine learning enables process optimization. This integrated approach advances the design of hybrid adsorbents for practical water treatment applications, addressing key challenges of selectivity and stability in complex wastewater systems. The study provides both fundamental insights into adsorption mechanisms and a practical framework for developing efficient, reusable materials for multi-pollutant removal.
本研究开发了一种NiFe-LDH@ZIF-67复合材料,用于在各种水基质中高效共吸附甲基绿(MG, 239.05 MG /g)和土霉素(OTC, 147.39 MG /g)。综合表征(FTIR, SEM-EDS, XRD, XPS, TGA)证实了材料的结构完整性。吸附遵循拟二级动力学(R2 > 0.98)和Langmuir等温线,MG由于更强的静电和π-π相互作用而表现出更高的亲和力。自来水(231.34 mg/g)比湖水(209.61 mg/g)具有更好的性能,且动力学更快(α = 899.501 vs 485.279)。复合材料具有良好的可重复使用性(5次循环后效率达95%)和再生后的稳定性。计算结果表明,MG的结合能为- 1.54 eV (MG)和- 1.21 eV (OTC),氢键(N/OH··O)驱动MG的优先吸附。优化的人工神经网络模型预测了最佳条件(pH值6,40°C),误差为<; 5%,有利于工业规模扩大。这项工作将实验验证与多尺度模拟(DFT/蒙特卡罗)相结合,以建立结构-属性关系,而机器学习可以实现过程优化。这种综合方法推进了混合吸附剂在实际水处理应用中的设计,解决了复杂废水系统中选择性和稳定性的关键挑战。该研究提供了对吸附机制的基本见解,并为开发高效、可重复使用的多污染物去除材料提供了实用框架。
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引用次数: 0
Boosting the CO2 capture and regeneration performance by nanographene@zinc oxide as novel green-synthesized nanocomposites 新型绿色合成纳米复合材料nanographene@zinc氧化物提高CO2捕获和再生性能
IF 5.9 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-08-25 DOI: 10.1016/j.jiec.2025.08.045
Sinan Kutluay
Increasing carbon dioxide (CO2) emissions on a global scale necessitate the development of effective and sustainable solutions to combat climate change. This study examined in detail the CO2 adsorption capacity and regeneration performance of the nanographene@zinc oxide (NG@ZnO-green) nanocomposite, produced using an environmentally friendly green synthesis method. While pure water was used as the solvent in the impregnation stage of the conventional production of the NG@ZnO nanocomposite, hemp stalk bio-extract was used instead in the green synthesis process. This bio-extract enabled more effective binding of ZnO to the NG surface, thus maximizing the interaction between NG and ZnO, resulting in a more homogeneous modification. SEM and TEM analyses revealed that the ZnO particles were densely and uniformly distributed on the NG surface. According to BET results, the NG@ZnO-green nanocomposite has a specific surface area of 705 m2/g, a total pore volume of 0.51 cm3/g, and a mean pore diameter of 4.97 nm. CO2 adsorption tests were conducted at 298 K and 273 K under 1 bar pressure, and NG, NG@ZnO, and NG@ZnO-green exhibited CO2 uptake capacities of 2.07–2.59 mmol/g, 4.56–5.43 mmol/g, and 5.95–6.99 mmol/g, respectively. This comparison revealed that the NG@ZnO-green nanocomposite exhibited significantly superior performance compared to both pure NG and conventionally synthesized NG@ZnO, confirming the effectiveness of the proposed green synthesis strategy. The isosteric heat of adsorption (Qst), calculated using the Clausius–Clapeyron equation, indicated strong physical interactions between NG@ZnO-green and CO2. Ten-cycle reuse tests revealed a high regeneration capacity for this nanocomposite, with a reuse efficiency of up to 95 %. All findings demonstrate that the environmentally friendly synthesis method developed using hemp-based bio-extract offers advantages not only in terms of sustainability but also in terms of CO2 capture performance. Furthermore, this capacity exceeds that reported for many advanced adsorbents under similar conditions, demonstrating the material’s technical and environmental superiority. The NG@ZnO-green nanocomposite stands out as a promising candidate for carbon capture technologies.
全球范围内二氧化碳排放量的增加要求制定有效和可持续的解决方案来应对气候变化。本研究详细考察了采用环保绿色合成方法制备的nanographene@zinc氧化物(NG@ZnO-green)纳米复合材料的CO2吸附能力和再生性能。传统生产NG@ZnO纳米复合材料的浸渍阶段采用纯水作为溶剂,绿色合成过程中采用大麻茎生物提取物代替。该生物提取物能够更有效地将ZnO结合到NG表面,从而使NG和ZnO之间的相互作用最大化,从而获得更均匀的修饰。SEM和TEM分析表明,ZnO颗粒密集均匀地分布在NG表面。BET结果表明,NG@ZnO-green纳米复合材料的比表面积为705 m2/g,总孔容为0.51 cm3/g,平均孔径为4.97 nm。在298 K和273 K、1 bar压力下进行CO2吸附实验,结果表明,NG、NG@ZnO和NG@ZnO-green对CO2的吸收能力分别为2.07 ~ 2.59 mmol/g、4.56 ~ 5.43 mmol/g和5.95 ~ 6.99 mmol/g。通过比较发现,NG@ZnO-green纳米复合材料的性能明显优于纯NG和常规合成NG@ZnO,证实了所提出的绿色合成策略的有效性。利用Clausius-Clapeyron方程计算的等等吸附热(Qst)表明NG@ZnO-green与CO2之间存在很强的物理相互作用。十循环重复使用试验表明,这种纳米复合材料具有很高的再生能力,重复使用效率高达95%。所有研究结果都表明,使用基于大麻的生物提取物开发的环境友好型合成方法不仅在可持续性方面具有优势,而且在二氧化碳捕获性能方面也具有优势。此外,在类似条件下,这种能力超过了许多先进吸附剂的报道,证明了该材料的技术和环境优势。NG@ZnO-green纳米复合材料作为碳捕获技术的一个有前途的候选者脱颖而出。
{"title":"Boosting the CO2 capture and regeneration performance by nanographene@zinc oxide as novel green-synthesized nanocomposites","authors":"Sinan Kutluay","doi":"10.1016/j.jiec.2025.08.045","DOIUrl":"10.1016/j.jiec.2025.08.045","url":null,"abstract":"<div><div>Increasing carbon dioxide (CO<sub>2</sub>) emissions on a global scale necessitate the development of effective and sustainable solutions to combat climate change. This study examined in detail the CO<sub>2</sub> adsorption capacity and regeneration performance of the nanographene@zinc oxide (NG@ZnO-green) nanocomposite, produced using an environmentally friendly green synthesis method. While pure water was used as the solvent in the impregnation stage of the conventional production of the NG@ZnO nanocomposite, hemp stalk bio-extract was used instead in the green synthesis process. This bio-extract enabled more effective binding of ZnO to the NG surface, thus maximizing the interaction between NG and ZnO, resulting in a more homogeneous modification. SEM and TEM analyses revealed that the ZnO particles were densely and uniformly distributed on the NG surface. According to BET results, the NG@ZnO-green nanocomposite has a specific surface area of 705 m<sup>2</sup>/g, a total pore volume of 0.51 cm<sup>3</sup>/g, and a mean pore diameter of 4.97 nm. CO<sub>2</sub> adsorption tests were conducted at 298 K and 273 K under 1 bar pressure, and NG, NG@ZnO, and NG@ZnO-green exhibited CO<sub>2</sub> uptake capacities of 2.07–2.59 mmol/g, 4.56–5.43 mmol/g, and 5.95–6.99 mmol/g, respectively. This comparison revealed that the NG@ZnO-green nanocomposite exhibited significantly superior performance compared to both pure NG and conventionally synthesized NG@ZnO, confirming the effectiveness of the proposed green synthesis strategy. The isosteric heat of adsorption (Q<sub>st</sub>), calculated using the Clausius–Clapeyron equation, indicated strong physical interactions between NG@ZnO-green and CO<sub>2</sub>. Ten-cycle reuse tests revealed a high regeneration capacity for this nanocomposite, with a reuse efficiency of up to 95 %. All findings demonstrate that the environmentally friendly synthesis method developed using hemp-based bio-extract offers advantages not only in terms of sustainability but also in terms of CO<sub>2</sub> capture performance. Furthermore, this capacity exceeds that reported for many advanced adsorbents under similar conditions, demonstrating the material’s technical and environmental superiority. The NG@ZnO-green nanocomposite stands out as a promising candidate for carbon capture technologies.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"153 ","pages":"Pages 773-782"},"PeriodicalIF":5.9,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145705218","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
Design of an environmentally friendly new chiral SHNFM–CuCl3 DES as solvent, electrolyte, and catalyst for electro-catalytic asymmetric carboxylation 设计一种环保的新型手性SHNFM-CuCl3 DES作为电催化不对称羧基化的溶剂、电解质和催化剂
IF 5.9 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-07-25 DOI: 10.1016/j.jiec.2025.07.040
Hayder Ghanim Chfat , Mohammad Mahtab Alam , Talib H. Mawat , Rustamkhon Kuryazov , Shatha abd aljabbar Ismael , Hussein Ali Al-Bahrani , Abdullah Yahya Abdullah Alzahrani , Mohammed Muayad T.A , Elyor Berdimurodov , Jasur Tursunqulov , Qais R. Lahhob , Lala Gurbanova
The increasing costs and environmental impact of raw materials, reagents, catalysts and solvents in organic syntheses have prompted the need for more sustainable and cost-effective approaches. In this study, we present the design and synthesis of a new multifunctional chiral SHNFM–CuCl3 DES, which serves as a solvent, electrolyte, and chiral catalyst for electro-catalytic asymmetric carboxylation reactions. This electro-catalyst system was developed using inexpensive and readily available raw materials and is utilized in the presence of graphite rod electrodes. The DES system was thoroughly characterized using FT-IR, TGA, and 1HNMR, 13CNMR to confirm its structural integrity and composition. The electro-organic synthesis of (R)-1-formyl-2-oxo-3-phenylindoline-3-carboxylic acid derivatives 3(a–i) was optimized under ambient temperature conditions, with a reaction time of 1.5 h and an applied current of 10 mA, resulting in high yields ranging from 89 % to 97 %. The final products were characterized and confirmed by FT-IR spectroscopy, measurement of optical rotation, 1HNMR spectroscopy, and elemental analysis (CHN). This work demonstrates the potential of using multifunctional DES as an efficient, environmentally friendly approach to electrochemical synthesis, reducing chemical consumption, lowering costs, and minimizing environmental impact, in line with the principles of green chemistry.
有机合成中原材料、试剂、催化剂和溶剂的成本和环境影响日益增加,促使人们需要更可持续和成本效益更高的方法。在这项研究中,我们设计和合成了一种新的多功能手性SHNFM-CuCl3 DES,它可以作为电催化不对称羧基化反应的溶剂、电解质和手性催化剂。这种电催化剂系统是使用廉价和容易获得的原材料开发的,并在石墨棒电极的存在下使用。利用FT-IR、TGA和1HNMR、13CNMR对DES体系进行了全面表征,以确定其结构完整性和组成。在室温条件下优化了(R)-1-甲酰基-2-氧-3-苯基喹啉-3-羧酸衍生物3(a - i)的电有机合成工艺,反应时间为1.5 h,电流为10 mA,收率为89% ~ 97%。最终产物通过FT-IR光谱、旋光度测量、1HNMR光谱和元素分析(CHN)进行了表征和证实。这项工作证明了使用多功能DES作为一种高效、环保的电化学合成方法的潜力,减少了化学消耗,降低了成本,并最大限度地减少了对环境的影响,符合绿色化学的原则。
{"title":"Design of an environmentally friendly new chiral SHNFM–CuCl3 DES as solvent, electrolyte, and catalyst for electro-catalytic asymmetric carboxylation","authors":"Hayder Ghanim Chfat ,&nbsp;Mohammad Mahtab Alam ,&nbsp;Talib H. Mawat ,&nbsp;Rustamkhon Kuryazov ,&nbsp;Shatha abd aljabbar Ismael ,&nbsp;Hussein Ali Al-Bahrani ,&nbsp;Abdullah Yahya Abdullah Alzahrani ,&nbsp;Mohammed Muayad T.A ,&nbsp;Elyor Berdimurodov ,&nbsp;Jasur Tursunqulov ,&nbsp;Qais R. Lahhob ,&nbsp;Lala Gurbanova","doi":"10.1016/j.jiec.2025.07.040","DOIUrl":"10.1016/j.jiec.2025.07.040","url":null,"abstract":"<div><div>The increasing costs and environmental impact of raw materials, reagents, catalysts and solvents in organic syntheses have prompted the need for more sustainable and cost-effective approaches. In this study, we present the design and synthesis of a new multifunctional chiral SHNFM–CuCl<sub>3</sub> DES, which serves as a solvent, electrolyte, and chiral catalyst for electro-catalytic asymmetric carboxylation reactions. This electro-catalyst system was developed using inexpensive and readily available raw materials and is utilized in the presence of graphite rod electrodes. The DES system was thoroughly characterized using FT-IR, TGA, and 1HNMR, 13CNMR to confirm its structural integrity and composition. The electro-organic synthesis of (R)-1-formyl-2-oxo-3-phenylindoline-3-carboxylic acid derivatives <strong>3(a–i)</strong> was optimized under ambient temperature conditions, with a reaction time of 1.5 h and an applied current of 10 mA, resulting in high yields ranging from 89 % to 97 %. The final products were characterized and confirmed by FT-IR spectroscopy, measurement of optical rotation, 1HNMR spectroscopy, and elemental analysis (CHN). This work demonstrates the potential of using multifunctional DES as an efficient, environmentally friendly approach to electrochemical synthesis, reducing chemical consumption, lowering costs, and minimizing environmental impact, in line with the principles of green chemistry.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"154 ","pages":"Pages 748-761"},"PeriodicalIF":5.9,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145924552","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
High inhibition efficiency and hydrogen permeation for novel N-heterocycles of SAE 1020 in HCl solution 新型n -杂环sae1020在HCl溶液中具有较高的缓蚀效率和氢渗透性能
IF 5.9 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-07-22 DOI: 10.1016/j.jiec.2025.07.010
Raquel Leal Silvério , Pedro M. Portugal , Rodrigo G. Amorim , Diego Pereira Sangi , Gabriel Rodrigues Antunes , Lilian Weitzel Coelho , Ravindra Pandey , Elivelton Alves Ferreira
To safeguard carbon steel during industrial acid pickling, it is essential to create corrosion and atomic hydrogen embrittlement inhibitors that are effective, non-toxic, and easily produced. Here, we synthesized and investigated the efficacy of 2-(nitromethylene)-1,3-oxazinane (NOX) and 2-(nitromethylene)hexahydropyrimidine (NHE) as corrosion inhibitors for SAE 1020 steel in 1.0 mol L−1 HCl aqueous solutions, within a concentration range of 3.7 mmol L−1 to 4.0 mmol L−1. For both inhibitors were obtained, an efficiency up to 82.7% (91.5%) for NHE (NOX), respectively. The NOX compound exhibited a 42.80% inhibitory efficacy of atomic hydrogen permeation. An anomalous behavior was noted in NOX, depending on its concentrations, leading to efficiency reduction. Theoretical calculations were performed using Density Functional Theory (DFT), where it was demonstrated that NOX is an energetically preferable molecule and has smaller binding energy compared with NHE. Two distinct concentrations of NOX molecules were examined, and at a higher concentration, an oxygen atom is released from the molecule and binds to the Fe surface. This phenomenon does not occur at low concentrations, and is ascribed to the anomalous behavior of the NOX molecule. Our finding paves the way for novel and high-efficiency N-heterocycle inhibitors.
为了在工业酸洗过程中保护碳钢,必须制造有效、无毒且易于生产的腐蚀和原子氢脆抑制剂。本文合成并研究了2-(亚甲基)-1,3-恶嗪烷(NOX)和2-(亚甲基)六氢嘧啶(NHE)在1.0 mol L−1 HCl水溶液中作为SAE 1020钢的缓蚀剂的效果,溶液浓度范围为3.7 ~ 4.0 mmol L−1。两种抑制剂对NHE (NOX)的抑制效率分别高达82.7%(91.5%)。NOX化合物对原子氢渗透的抑制效果为42.80%。在氮氧化物中,根据其浓度,注意到异常行为,导致效率降低。利用密度泛函理论(DFT)进行了理论计算,其中证明了NOX是一种能量更好的分子,与NHE相比具有更小的结合能。研究人员检测了两种不同浓度的氮氧化物分子,在浓度较高的情况下,一个氧原子从分子中释放出来,并与铁表面结合。这种现象不会发生在低浓度,并归因于氮氧化物分子的异常行为。我们的发现为开发新型高效n -杂环抑制剂铺平了道路。
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引用次数: 0
Synthesis and characterization of ThO2/NiO mixed oxide dispersed hydrophobic polybenzoxazine cross-linked polyaniline nanocomposites for dielectric and EMI shielding applications 用于介质和电磁屏蔽的二氧化钛/氧化镍混合氧化物分散疏水性聚苯并恶嗪交联聚苯胺纳米复合材料的合成与表征
IF 5.9 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-07-22 DOI: 10.1016/j.jiec.2025.07.030
N. Prathap , K. Dinakaran , P. Senthil Kumar , K. Srinivasan , P. Prabukanthan , Gayathri Rangasamy
In this study, a novel high-performance electromagnetic interference (EMI) shielding material was developed by synthesizing a hybrid polymer nanocomposite composed of benzoxazine-crosslinked polyaniline (BPBO/PANI) and thorium dioxide/nickel oxide (ThO2/NiO) mixed oxide nanoparticles. The innovation lies in the synergistic integration of BPBO and PANI, which provide enhanced conductivity, with ThO2/NiO nanoparticles that offer excellent thermal stability, dielectric properties, and EMI shielding performance. A simple grinding method was used to prepare the hydrophobic benzoxazine monomer. The formation of BPBO/PANI/ThO2/NiO (1 %, 3 %, and 5 %) polymer nanocomposite films was achieved through thermal curing. The nanocomposite films were analyzed using P-XRD, TGA/DTA, scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDX). In addition, their dielectric properties were evaluated. The 5 wt% ThO2/NiO nanoparticles dispersed in the BPBO/PANI matrix exhibited a dielectric constant, dielectric loss, conductivity, and impedance of 9.6 × 10⁶, 4.0 × 10⁶, 4.5 × 10−3 S/cm, and 1.1 × 105 Ω at 1 MHz, respectively. The EMI shielding effectiveness of a 2 mm thick BPBO/PANI/ThO2/NiO (5 wt%) nanocomposite reached approximately 50.8 dB in the X-band microwave region (11.08 GHz). This work uniquely demonstrates the potential of combining metal oxide nanoparticles with conductive polymeric matrices to create lightweight, flexible, and efficient EMI shielding materials suitable for next-generation electronic applications.
本研究通过合成由苯并恶嗪交联聚苯胺(BPBO/PANI)和二氧化钍/氧化镍(ThO2/NiO)混合氧化物纳米粒子组成的杂化聚合物纳米复合材料,开发了一种新型的高性能电磁干扰屏蔽材料。创新之处在于BPBO和PANI的协同集成,可以增强导电性,而ThO2/NiO纳米颗粒具有优异的热稳定性、介电性能和EMI屏蔽性能。采用简单的研磨法制备了疏水性苯并恶嗪单体。通过热固化制备了BPBO/PANI/ThO2/NiO(1%、3%和5%)聚合物纳米复合膜。采用P-XRD、TGA/DTA、扫描电镜(SEM)和能量色散x射线能谱(EDX)对纳米复合膜进行了分析。并对其介电性能进行了评价。分散在BPBO/PANI基体中的5 wt%的ThO2/NiO纳米颗粒在1 MHz下的介电常数、介电损耗、电导率和阻抗分别为9.6 × 10⁶、4.0 × 10⁶、4.5 × 10−3 S/cm和1.1 × 105 Ω。2 mm厚的BPBO/PANI/ThO2/NiO (5 wt%)纳米复合材料在x波段微波区(11.08 GHz)的电磁干扰屏蔽效果约为50.8 dB。这项工作独特地展示了将金属氧化物纳米颗粒与导电聚合物基质相结合的潜力,可以创造出适用于下一代电子应用的轻质、柔性和高效的电磁干扰屏蔽材料。
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引用次数: 0
Synergistic two-step modification of polybenzimidazole (PBI) nanofiltration membranes for improved molecular separation in acidic and organic environments 聚苯并咪唑(PBI)纳滤膜的两步协同改性以改善酸性和有机环境中的分子分离
IF 6.1 3区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-07-20 DOI: 10.1016/j.jiec.2025.07.048
Srinath Ravi, Sung Ju Shin, Saikat Sinha Ray, Young-Nam Kwon
This study presents a time-efficient, two-step modification strategy to significantly enhance polybenzimidazole (PBI) membrane resistance to acids and organic solvents, targeting low-pH aqueous and organic solvent nanofiltration (OSN) for industrial applications. A green solvent-based aqueous Fenton reaction pretreats the membrane, improving chemical and thermal stability via enhanced chain interactions. Subsequent Thiol-Ene click chemistry crosslinking introduces crucial flexibility, compensating for Fenton-induced brittleness. This synergistic PBI-FT membrane demonstrates remarkable stability in 70 % HNO3 (maintaining > 80 % MgSO4 rejection) and highly polar aprotic solvents (DMAc, DMF, NMP), retaining > 97 % weight. In OSN, PBI-FT achieved 2.1 LMH/bar ethanol permeance with > 97 % Rose Bengal rejection, showing superior separation even after 168 h DMF exposure. This sustainable technique yields robust nanofiltration membranes for efficient separation processes in challenging industrial environments.
本研究提出了一种省时、两步的改性策略,以显著提高聚苯并咪唑(PBI)膜对酸和有机溶剂的抗性,针对工业应用中的低ph水和有机溶剂纳滤(OSN)。绿色溶剂基水性芬顿反应预处理膜,通过增强链相互作用提高化学和热稳定性。随后的硫醇-烯点击化学交联引入了关键的柔韧性,补偿了芬顿引起的脆性。这种增效PBI-FT膜在70% % HNO3(保持 >; 80 % MgSO4的截除率)和高极性非质子溶剂(DMAc, DMF, NMP)中表现出显著的稳定性,保持 >; 97 %的重量。在OSN中,PBI-FT达到2.1 LMH/bar的乙醇渗透率, >; 97% %的玫瑰拒除率,即使在168 h的DMF暴露后也显示出优越的分离效果。这种可持续的技术产生强大的纳滤膜,在具有挑战性的工业环境中进行有效的分离过程。
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Journal of Industrial and Engineering Chemistry
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