Journal of Industrial and Engineering Chemistry最新文献

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Ternary nanocomposites (SmFeO3/CuFe)/Co-BDC as high performance electrocatalysts for hydrogen storage: A systematic study 三元纳米复合材料(SmFeO3/CuFe)/Co-BDC作为高性能储氢电催化剂的系统研究

IF 6.1 3区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Industrial and Engineering Chemistry

Pub Date : 2026-01-04 DOI: 10.1016/j.jiec.2026.01.006

Fatemeh Farhadi, Mostafa Roudgar-Amoli, Zahra Shariatinia, Ebrahim Abedini

引用次数: 0

A single stage anaerobic/anoxic/aerobic hybrid airlift bio-electrochemical reactor (HALBER) for enhancing nitrogen removal from wastewater 一种单级厌氧/缺氧/好氧混合型气升式生物电化学反应器（HALBER），用于提高废水中氮的去除

IF 6.1 3区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Industrial and Engineering Chemistry

Pub Date : 2025-12-28 DOI: 10.1016/j.jiec.2025.12.031

Amir Nouri, Ali Akbar Zinatizadeh, Sirus Zinadini, Mark Van Loosdrecht

引用次数: 0

Evaluation of PM2.5 prediction performance of CMAQ and AI models (LSTM and Transformer) in an operational air quality forecasting system CMAQ和AI模型（LSTM和Transformer）在实际空气质量预报系统中的PM2.5预测性能评价

IF 6.1 3区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Industrial and Engineering Chemistry

Pub Date : 2025-12-25 DOI: 10.1016/j.jiec.2025.12.028

Ki-Hong Shin, Sung-Chul Hong, Jae-Bum Lee, Yonghee Lee, Seung-Hee Eun, Dae-Ryun Choi, Ji-Won Sung

引用次数: 0

Dual-Function oxygen-vacancy-rich Zn0.98Co0. 02O/GGAC/γ-Al2O3/CeO2/α-MoO3 heterojunction with minimal metal leaching for PMS-Driven 17α-Ethinylestradiol degradation and CO2-to-CH4 conversion 双功能富氧锌0.98 co0。02O/GGAC/γ-Al2O3/CeO2/α-MoO3异质结对pms驱动的17α-炔雌醇降解和CO2-to-CH4转化的最小金属浸出

IF 5.9 3区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Industrial and Engineering Chemistry

Pub Date : 2025-12-09 DOI: 10.1016/j.jiec.2025.12.007

Umar Farooq , Hadia Noor , Mohammad Ehtisham Khan , Fazlurrahman Khan , Faris Alfifi , Syed Kashif Ali , Gulam Rabbani , Wahid Ali , Abdulrahman Khamaj

The increasing presence of endocrine-disrupting chemicals (EDCs), particularly 17α-ethinylestradiol (EE2), in aquatic systems poses serious environmental and health risks. In this work, a novel Zn_0.98Co_0.02O/γ-Al₂O₃/CeO₂/α-MoO₃ S-scheme heterojunction, modified with guar gum/activated carbon (GGAC), was fabricated for efficient peroxymonosulfate (PMS) activation and photocatalytic CO₂ reduction. Comprehensive characterization (XRD, FTIR, XPS, SEM, TEM, BET, EIS, AFM, DLS, and zeta potential) confirmed successful synthesis, while high-resolution Ce 3d, Co 2p, and Mo 3d spectra verified oxygen-vacancy formation and interfacial charge modulation. Optimization using the RSM-CCD model identified optimal parameters (1.00 g L⁻¹ catalyst, 2.42 mM PMS, pH 7.23, and 10 mg L⁻¹ EE2), achieving 97.81 % degradation within 1 h (k = 0.169 min⁻¹) and 89.28 % efficiency after 8 cycles. The reaction mechanism involved photo-assisted PMS activation, dominated by SO₄^•− and ^•OH radicals. Moreover, the heterojunction exhibited excellent CO₂ photoreduction, achieving a CH₄ production rate of 5837.49 µmol g⁻¹h⁻¹, far exceeding pristine materials. The enhanced activity arises from defect engineering and surface/interface coupling, providing a sustainable route for simultaneous pollutant degradation and carbon valorization, consistent with the surface science and catalytic materials.

越来越多的内分泌干扰化学物质（EDCs），特别是17α-炔雌醇（EE2）在水生系统中存在，构成严重的环境和健康风险。采用瓜尔胶/活性炭（GGAC）改性zn0.98 co0.020 /γ-Al2O3/CeO2/α-MoO3 S-scheme异质结，制备了一种高效的过氧单硫酸盐（PMS）活化光催化CO2还原材料。综合表征（XRD， FTIR， XPS， SEM， TEM， BET， EIS， AFM， DLS和zeta电位）证实了合成成功，而高分辨率Ce 3d， Co 2p和Mo 3d光谱证实了氧空位的形成和界面电荷调制。利用RSM-CCD模型进行优化，确定了最佳参数（1.00 g L−1催化剂，2.42 mM PMS, pH 7.23, 10 mg L−1 EE2）， 1 h内（k = 0.169 min−1）降解率为97.81%，8次循环后效率为89.28%。反应机理为光辅助PMS活化，以SO4•−和•OH自由基为主。此外，该异质结具有优异的CO2光还原性能，CH4产率达到5837.49µmol g−1h−1，远远超过原始材料。增强的活性源于缺陷工程和表面/界面耦合，为同时降解污染物和碳增值提供了可持续的途径，与表面科学和催化材料相一致。

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引用次数: 0

Modulating the electronic structure of NiS@WS2 for efficient bifunctional electrocatalysts in alkaline water electrolysis 碱水电解中有效双功能电催化剂NiS@WS2的电子结构调节

IF 5.9 3区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Industrial and Engineering Chemistry

Pub Date : 2025-12-07 DOI: 10.1016/j.jiec.2025.12.008

Athibala Mariappan , Ranjith Kumar Dharman , Huang-Mu Lo , Tae Hwan Oh

The growing need for effective and affordable water splitting has stimulated research on cost-effective metal electrocatalysts for the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER). In the present work, NiS@WS₂ was prepared using a hydrothermal process towards high-performance electrocatalytic water electrolysis in an alkaline environment. The as-synthesized NiS@WS₂-2 electrocatalyst exhibited excellent electrocatalytic performance and durability in an alkaline medium, requiring overpotentials of 101 mV (HER) and 280 mV (OER) to deliver 10 mA cm⁻². Furthermore, the NiS@WS₂-2||NiS@WS₂-2 cell requires only 1.55 V to derive 10 mA cm⁻², representing exceptional water electrolysis. Its remarkable long-term durability was confirmed by a continuous 100-h stability test, during which the cell voltage remained nearly constant. The noteworthy electrocatalytic performance of the optimized NiS@WS₂-2 electrocatalyst arise from its flake-like morphology, which facilitates mass and charge transport, and its optimized electronic structure, which promotes efficient electrocatalytic kinetics. The present study highpoints the potential of 2D transition metal dichalcogenides beyond WS₂ as competitive electrocatalysts for overall water splitting.

对高效、经济的水分解的需求不断增长，刺激了对经济高效的析氧反应（OER）和析氢反应（HER）金属电催化剂的研究。在本工作中，利用水热法制备了在碱性环境下实现高性能电催化电解的NiS@WS2。合成的NiS@WS2-2电催化剂在碱性介质中表现出优异的电催化性能和耐久性，需要101 mV （HER）和280 mV （OER）的过电位才能输出10 mA cm -2。此外，NiS@WS2-2||NiS@WS2-2电池只需要1.55 V产生10 mA cm -2，代表特殊的水电解。连续100小时的稳定性测试证实了其卓越的长期耐久性，在此期间电池电压几乎保持恒定。优化后的NiS@WS2-2电催化剂具有显著的电催化性能，因为其片状形态有利于质量和电荷的输运，优化后的电子结构促进了高效的电催化动力学。本研究强调了WS2以外的二维过渡金属二硫族化合物作为整体水分解的竞争性电催化剂的潜力。

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引用次数: 0

Mechanistic-fuzzy kinetic model for CO2 methanation over Ni-CeO2/γ-Al2O3 catalyst under industrial reactor conditions 工业反应器条件下Ni-CeO2/γ-Al2O3催化剂上CO2甲烷化的力学模糊动力学模型

IF 6.1 3区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Industrial and Engineering Chemistry

Pub Date : 2025-12-07 DOI: 10.1016/j.jiec.2025.12.003

A. Alarcón, T. Andreu, J. Guilera

引用次数: 0

Design and synthesis of Coumarin–Pyrazole carbothioamide hybrid heterocyclic scaffolds: An integrated experimental and theoretical (DFT/MD) insight into corrosion inhibition, antioxidant, and antibacterial activities 香豆素-吡唑碳硫酰胺杂化杂环支架的设计与合成：对腐蚀抑制、抗氧化和抗菌活性的综合实验和理论（DFT/MD）见解

IF 6.1 3区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Industrial and Engineering Chemistry

Pub Date : 2025-12-03 DOI: 10.1016/j.jiec.2025.11.044

Alaeddine Berkane, Houari Boumediene Ouici, Rania Addadi, Farouk Boudou, Abdelkrim Guendouzi

引用次数: 0

Optimization and kinetics study for methylene blue adsorption with GO incorporated waste polystyrene: ANN and BBD studies 氧化石墨烯掺入废聚苯乙烯吸附亚甲基蓝的优化及动力学研究：ANN和BBD研究

IF 5.9 3区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Industrial and Engineering Chemistry

Pub Date : 2025-11-26 DOI: 10.1016/j.jiec.2025.11.040

Tugba Hayri-Senel, Ebru Kahraman, Serhat Sezer, Nalan Erdol-Aydin, Gulhayat Nasun-Saygili

This study focused on the development of PS-GO composites synthesized by combining waste polystyrene (PS) and different ratios of graphene oxide (GO) for the effective removal of an organic contaminant, methylene blue (MB). The composites were characterized and analyzed using various techniques to confirm their successful synthesis, structural integrity, and surface properties. The impact of independent parameters including solution pH, various GO ratios in the composite and initial MB concentration were evaluated to find the optimum conditions. In addition, Box-Behnken Design (BBD) and Artificial Neural Network (ANN) models were applied in the design of experiments and in the examination of the adsorption efficiency of MB, as well as to predict and optimize MB removal. The optimum conditions were determined as pH 11, MB concentration 20 mg/L, GO ratio by weight in the composite as 5 %, and the highest MB removal of 99.98 % was achieved after 20 min. This value was predicted with high accuracy by BBD (98.97 %) and ANN (99.92 %). According to kinetic evaluations, MB adsorption exhibited pseudo-second-order behavior. Isotherm studies proved that the MB adsorption onto PS-GO composites followed the Langmuir isotherm model. Furthermore, thermodynamic evaluations indicated that the adsorption process was spontaneous and endothermic, while recyclability tests showed that the PS-GO composite maintained good adsorption performance over multiple adsorption–desorption cycles. The results demonstrated that the PS-GO composite prepared in this study can be proposed as a novel, sustainable, economical and industrially applicable adsorbent material for the treatment of organic pollutants from aquatic environments.

本研究的重点是将废聚苯乙烯（PS）与不同比例的氧化石墨烯（GO）结合合成PS-GO复合材料，以有效去除有机污染物亚甲基蓝（MB）。利用各种技术对复合材料进行表征和分析，以确认其成功合成、结构完整性和表面性能。考察了溶液pH、复合材料中不同氧化石墨烯比例和初始MB浓度等独立参数的影响，找到了最佳工艺条件。此外，采用Box-Behnken Design （BBD）和人工神经网络（ANN）模型进行实验设计和MB吸附效率考察，并对MB的去除进行预测和优化。最佳工艺条件为pH为11，氧化石墨烯浓度为20 mg/L，复合材料中氧化石墨烯重量比为5%，20 min后氧化石墨烯去除率达到99.98%。BBD（98.97%）和ANN（99.92%）预测该值具有较高的准确性。动力学评价表明，吸附表现为准二级行为。等温线研究表明，甲基溴在PS-GO复合材料上的吸附符合Langmuir等温线模型。此外，热力学评价表明，吸附过程是自发的吸热过程，而可回收性测试表明，PS-GO复合材料在多次吸附-脱附循环中仍保持良好的吸附性能。结果表明，本研究制备的PS-GO复合材料可以作为一种新型的、可持续的、经济的、工业上适用的水生环境有机污染物的吸附材料。

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引用次数: 0

Synergistic enhancement of alkali and heavy metal removal via chlorination volatilization from metallurgical dust blended with MSWI FA 混合MSWI FA的冶金粉尘氯化挥发协同脱除碱和重金属

IF 6.1 3区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Industrial and Engineering Chemistry

Pub Date : 2025-11-25 DOI: 10.1016/j.jiec.2025.11.033

Yang Xue, Jiarui Gu, Jingjing Qin, Xiaoming Liu, Mengfan Wang, Yinming Sun

引用次数: 0

Molecular dynamics and machine learning framework for predicting ion transport and mechanical properties of ionic liquid@polyvinylidene fluoride gel polymer electrolyte 预测离子liquid@polyvinylidene氟凝胶聚合物电解质离子传输和力学性能的分子动力学和机器学习框架

IF 6.1 3区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Industrial and Engineering Chemistry

Pub Date : 2025-11-25 DOI: 10.1016/j.jiec.2025.11.034

Sadegh Kaviani

引用次数: 0

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