Industrial & Engineering Chemistry Research最新文献_第6页

Recent Advances in Catalysts and Reaction Mechanism for the Direct Conversion of Ethanol to Butadiene 乙醇直接转化丁二烯催化剂及反应机理研究进展

IF 3.9 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2026-10-14 Epub Date: 2026-09-30 DOI: 10.1021/acs.iecr.6c03382

Ben Yang, Kangzhou Wang, Shouqian Dong, Chenlong Huang, Wei Qiang, Xiaowei Li, Jing Wang, Jianli Zhang

{"title":"Recent Advances in Catalysts and Reaction Mechanism for the Direct Conversion of Ethanol to Butadiene","authors":"Ben Yang, Kangzhou Wang, Shouqian Dong, Chenlong Huang, Wei Qiang, Xiaowei Li, Jing Wang, Jianli Zhang","doi":"10.1021/acs.iecr.6c03382","DOIUrl":"https://doi.org/10.1021/acs.iecr.6c03382","url":null,"abstract":"Butadieneis a key monomer in the production of syntheticrubber,resins, and fine chemicals. Although significant progress has beenmade in the technology for the direct conversion of ethanol to butadiene(ETB), challenges remain in the development of highly efficient catalystsand the elucidation of the structure–activity relationshipsof supported catalysts. Furthermore, there are few systematic reviewsanalyzing the structure–activity relationships in the directETB conversion. In this review, we summarize recent advances in catalystsfor direct ETB conversion and systematically analyze the relationshipsamong metal composition, preparation method, support structure, active-siteenvironment, and catalytic performance, and the competitive C–Ccoupling mechanism, reaction kinetics, catalyst deactivation, andregeneration strategies. Furthermore, we present the technical bottlenecksand future opportunities in the direct ETB conversion. This reviewaims to comprehensively analyze the structure–activity relationshipsbetween catalysts and catalytic performance in the direct ETB conversion,with the goal of promoting the development of efficient catalystsand accelerating the industrialization of ETB conversion.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21387–21408"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149174051","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

Surface-EngineeredPolythiosemicarbazide Membranesvia Chelation-Controlled Silver Nanoparticle Growth for Antibacterialand Underwater Oleophobic Performance 通过螯合控制银纳米颗粒生长的表面工程聚硫脲膜的抗菌和水下疏油性能

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2026-10-14 DOI: 10.1021/acs.iecr.6c02995

Jamaliah Aburabie,Sneha Thomas,Mostafa Khair,Raed Hashaikeh

{"title":"Surface-Engineered\u0000Polythiosemicarbazide Membranes\u0000via Chelation-Controlled Silver Nanoparticle Growth for Antibacterial\u0000and Underwater Oleophobic Performance","authors":"Jamaliah Aburabie,Sneha Thomas,Mostafa Khair,Raed Hashaikeh","doi":"10.1021/acs.iecr.6c02995","DOIUrl":"https://doi.org/10.1021/acs.iecr.6c02995","url":null,"abstract":"Abstract Biofouling continues to limit the performance of ultrafiltration membranes for oil–water separation, creating demand for materials that combine high flux, strong selectivity, and built-in antimicrobial activity. Here, we report a chelating polythiosemicarbazide (PTSC) ultrafiltration membrane that supports in situ growth of silver nanoparticles through intrinsic Ag+ coordination and controlled chemical reduction. PTSC membranes were prepared by nonsolvent-induced phase separation using 12 wt% PTSC, loaded with Ag+ and reduced with NaBH4. PTSC showed high Ag+ uptake, reaching about 365 mg g–1 at 250 ppm with less than 3% silver release after prolonged immersion. The modified membrane remained highly hydrophilic and strongly underwater oleophobic, with oil contact angles above 100° for several oils. It showed a molecular weight cutoff near 270 kDa and delivered 97–99% oil rejection, a permeance of about 110–230 L m–2 h–1 bar–1, and antibacterial activity against Bacillus thuringiensis. These results highlight a strategy for multifunctional membranes with minimized silver leaching and fouling resistance.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"1 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149210004","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

Coalescence Filtration Performance and Mechanism of Fibrous Media for Offshore Oilfield Produced Water Treatment 海上油田采出水处理纤维介质聚结过滤性能及机理

IF 3.9 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2026-10-14 Epub Date: 2026-10-01 DOI: 10.1021/acs.iecr.6c03225

Yihang Ding, Cheng Chang, Wendong Zhao, Tingting Miao, Xiaolin Wu, Zhongli Ji

{"title":"Coalescence Filtration Performance and Mechanism of Fibrous Media for Offshore Oilfield Produced Water Treatment","authors":"Yihang Ding, Cheng Chang, Wendong Zhao, Tingting Miao, Xiaolin Wu, Zhongli Ji","doi":"10.1021/acs.iecr.6c03225","DOIUrl":"https://doi.org/10.1021/acs.iecr.6c03225","url":null,"abstract":"Produced water from offshore oilfields contains dispersedoil dropletsand oil-in-water (O/W) emulsions that require effective treatmentbefore discharge. Compared with conventional retention-dominated membranes,fibrous coalescence filter media can promote droplet coalescence andcontinuous oil drainage, but the underlying filtration mechanismsremain insufficiently understood. In this study, six glass fiber filtermedia with different structural parameters were evaluated using O/Wemulsions with four droplet size distributions. Based on the evolutionof pressure drop and filtration efficiency, the filtration processwas identified as an “interception–filling–drainage”staged mechanism. Laser scanning confocal microscopy showed oil accumulationwithin the inter-fiber pores and the formation of “liquid sail”structures during the filling stage. At steady state, with an increasein average pore size from 1.97 to 16.37 μm, filtration efficiencydecreased from 85.5% to 46.4%, while steady-state pressure drop fellfrom 13.4 to 0.2 kPa. Droplet-size-switching experiments further showedthat oil filling reduced the downstream oil concentration by up to46.44% relative to the corresponding single-droplet-size condition.Based on the proposed staged mechanism, empirical correlations wereestablished to quantify the effects of the ratio of emulsion dropletsize to average filter pore size and filter structural parameterson pressure drop and filtration efficiency. These correlations providean empirical means of estimating overall filtration performance underthe conditions examined.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21800–21813"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149173292","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

Dual-Network Synergistic Reinforcement toward Lightweight and High-Strength Flexible Graphite Bipolar Plates for Robust and Efficient Fuel Cells 基于双网络协同增强的轻质高强柔性石墨双极板燃料电池

IF 3.9 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2026-10-14 Epub Date: 2026-09-30 DOI: 10.1021/acs.iecr.6c01405

Xiaoyu Mao, Xiufeng Hu, Daijun Yang, Wei Yu, Terence Xiaoteng Liu, Yifan Li

{"title":"Dual-Network Synergistic Reinforcement toward Lightweight and High-Strength Flexible Graphite Bipolar Plates for Robust and Efficient Fuel Cells","authors":"Xiaoyu Mao, Xiufeng Hu, Daijun Yang, Wei Yu, Terence Xiaoteng Liu, Yifan Li","doi":"10.1021/acs.iecr.6c01405","DOIUrl":"https://doi.org/10.1021/acs.iecr.6c01405","url":null,"abstract":"The advancement of fuel cell technology plays a pivotalrole inthe development of hydrogen energy. Bipolar plates are important componentsof fuel cells. Developing flexural bipolar plates with stable mechanicalproperties and high conductivity addresses the critical need for improvedpower density and reduced system cost in fuel cells. In this study,we introduce a novel expanded graphite-carbon fiber/resin compositebipolar plate fabricated via hot-press molding. The plate is designedbased on a dual-network synergistic reinforcement strategy, comprisinga conductive graphite network and a mechanical carbon-fiber skeleton.During molding, the flowing resin bridges these two networks, enablingsimultaneous enhancements in electrical conductivity and mechanicalstrength. This composite achieves a low density of 1.64 g/cm3, while exhibiting a high in-plane electrical conductivity of 393.70S/cm, an effective through-plane conductivity of 7.538 S/cm, and ahigh flexural strength of 520.3 MPa at a minimal thickness of ∼0.6mm. Furthermore, it fulfills critical operational requirements suchas creep resistance, corrosion resistance, low surface roughness,and tunable hydrophobicity. To evaluate its practical energy utilizationefficiency, we compared the power of various composite bipolar platesunder sustained load conditions. This comparison confirmed the robustnessof the prepared composite bipolar plates in withstanding mechanicalstresses, revealing their potential in practical fuel cell applications.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21602–21614"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149174031","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

Superhydrophobic Coatings with High Robustness and Green Environmentally Friendly Characteristics: Structures, Mechanisms, and Engineering Applications 具有高坚固性和绿色环保特性的超疏水涂料：结构、机理和工程应用

IF 3.9 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2026-10-14 Epub Date: 2026-10-01 DOI: 10.1021/acs.iecr.6c03657

Jiang Shao, Weijun Li, Jing Tang, Mingxuan Wu, Qijin Wang

{"title":"Superhydrophobic Coatings with High Robustness and Green Environmentally Friendly Characteristics: Structures, Mechanisms, and Engineering Applications","authors":"Jiang Shao, Weijun Li, Jing Tang, Mingxuan Wu, Qijin Wang","doi":"10.1021/acs.iecr.6c03657","DOIUrl":"https://doi.org/10.1021/acs.iecr.6c03657","url":null,"abstract":"Superhydrophobiccoatings are promising for self-cleaning, anti-icing,anticorrosion, and oil–water separation, but practical useis limited by fragile micro/nanostructures and persistent fluorinatedchemicals. This review examines four complementary strengthening mechanisms:interfacial chemical bonding, armor protection, stress dissipation,and self-healing. Quantitative criteria involving energy-release-ratebalance, the Cassie–Wenzel wetting-state transition, and geometricconstraints on armor structures link material design to mechanicaland wetting stability. Applications in environmental remediation,infrastructure protection, energy equipment, and household textilesare then discussed. Finally, existing performance evidence for fluorinatedand fluorine-free coatings is compared, and the feasibility and sustainabilityof scalable manufacturing are briefly evaluated in terms of materialhazards, cost, and end-of-life management. By integrating physicalstructures, toughening mechanisms, and engineering applications, thisframework provides guidance for developing environmentally responsibleand durable superhydrophobic coatings.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21409–21459"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149173397","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

Whole-Process Integration and Economic Analysis of Postcombustion CO2 Capture with PZ-MDEA: From Experimental Validation to Industrial Application PZ-MDEA燃烧后CO2捕集的全过程集成与经济分析：从实验验证到工业应用

IF 3.9 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2026-10-14 Epub Date: 2026-09-28 DOI: 10.1021/acs.iecr.6c01064

Minghui Wu, Yumeng Wang, Guanjun Chen, Bo Jin, Zhiwu Liang, Hongxia Gao

{"title":"Whole-Process Integration and Economic Analysis of Postcombustion CO2 Capture with PZ-MDEA: From Experimental Validation to Industrial Application","authors":"Minghui Wu, Yumeng Wang, Guanjun Chen, Bo Jin, Zhiwu Liang, Hongxia Gao","doi":"10.1021/acs.iecr.6c01064","DOIUrl":"https://doi.org/10.1021/acs.iecr.6c01064","url":null,"abstract":"Studying different absorbents and process configurations is crucialfor the process performance of postcombustion CO2 capture,which can reduce the regeneration energy consumption of the stripperand improve the economics of the process. In this study, postcombustionCO2 capture processes using 30 wt % MEA and 20 wt % PZ+20wt % MDEA as absorbents were established and investigated. Then, 30wt % MEA and a mixed solution of 20 wt % PZ + 20 wt % MDEA were usedas absorbents. Three process configurations were simulated, includingthe standard configuration, the AIC-SSF configuration combining interstagecooling (AIC) and split rich solvent flow (SSF), and the AIC-SSF-MVRconfiguration integrated with mechanical vapor recompression (MVR).The results indicate that, under standard operating conditions, the20 wt % PZ + 20 wt % MDEA mixed amine exhibits a reboiler heat dutyof 2.73 GJ/t CO2, which is 24.6% lower than that of thestandard MEA baseline condition (3.62 GJ/t CO2). When adoptingthe AIC-SSF-MVR process configuration, the minimum regeneration energyconsumption is further lowered to 2.14 GJ/t CO2, whichis 40.9% less than that of the standard MEA operating condition. Economicanalysis via APEA shows that the AIC-SSF-MVR process configurationusing a 40 wt % PZ-MDEA solution delivers the lowest CO2 capture cost of 53.83 $/t CO2. This value is approximately27.9% lower relative to the standard MEA operating conditions (74.69$/t CO2).","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21761–21776"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149173887","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

Dual-Selector Biphasic Recognition Chiral Extraction for Naproxen Enantiomers: Experimental Evaluation and Molecular-Level Mechanism 萘普生对映体的双选择双相识别手性提取：实验评价及分子水平机理

IF 3.9 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2026-10-14 Epub Date: 2026-09-29 DOI: 10.1021/acs.iecr.6c03193

Shuyuan Wen, Xiang Wei, Shengyuan Xu, Hongye Cheng

{"title":"Dual-Selector Biphasic Recognition Chiral Extraction for Naproxen Enantiomers: Experimental Evaluation and Molecular-Level Mechanism","authors":"Shuyuan Wen, Xiang Wei, Shengyuan Xu, Hongye Cheng","doi":"10.1021/acs.iecr.6c03193","DOIUrl":"https://doi.org/10.1021/acs.iecr.6c03193","url":null,"abstract":"A dual-selector biphasic recognition chiral extraction(BRCE) systemwas developed for the resolution of racemic naproxen using hydrophobic l-di-p-toluoyl-d-tartaric acid (L-DTTA)in the organic phase and hydrophilic hydroxyethyl-β-cyclodextrin(HE-β-CD) in the aqueous phase. Single-selector screening firstidentified HE-β-CD as the preferred aqueous selector for S-naproxen and L-DTTA as a complementary organic selectorfor R-naproxen. After optimization of selector concentrations,feed concentration, pH and temperature, the single-stage enantioselectivityyields 2.10, with an enantiomeric excess of 31.93%. Quantum chemicalcalculations and molecular dynamics simulations were then used tointerpret the experimentally verified selectivity trends. The resultsindicate that HE-β-CD preferentially stabilizes S-naproxen through cavity-size matching and a directional hydrogen-bondingnetwork near the modified cavity entrance, whereas L-DTTA favors R-naproxen through steric complementarity and extensivevan der Waals contacts. The opposite recognition preferences of thetwo selectors generate a cooperative thermodynamic driving force acrossthe oil/water interface. This experimentally validated mechanism providescriteria for selecting dual-phase chiral selectors and designing intensifiedliquid–liquid extraction systems for enantiomeric separations.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21788–21799"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149173892","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

Hierarchical Fe–Co LDH/Fe-CoSOH Nanoneedle-Nanosheet Heterostructure for Efficient Oxygen Evolution Fe-CoLDH /Fe-CoSOH纳米针-纳米片的高效析氧结构

IF 3.9 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2026-10-14 Epub Date: 2026-10-01 DOI: 10.1021/acs.iecr.6c03646

Jing Li, Yuhe Xue, Yan Zhou, Mingyu Yang, Zhenjie Lu, Min Bi, Qiaofeng Han, Jingwen Sun, Junwu Zhu, Nieves López-Salas, Chun Li, Yongsheng Fu

{"title":"Hierarchical Fe–Co LDH/Fe-CoSOH Nanoneedle-Nanosheet Heterostructure for Efficient Oxygen Evolution","authors":"Jing Li, Yuhe Xue, Yan Zhou, Mingyu Yang, Zhenjie Lu, Min Bi, Qiaofeng Han, Jingwen Sun, Junwu Zhu, Nieves López-Salas, Chun Li, Yongsheng Fu","doi":"10.1021/acs.iecr.6c03646","DOIUrl":"10.1021/acs.iecr.6c03646","url":null,"abstract":"Developing efficient and stable oxygen evolution reactioncatalystsis crucial for practical water splitting. Herein, a mild room-temperaturesulfidation strategy is employed to construct a hierarchical heterostructurecomposed of Fe-Co LDH nanoneedles and ultrathin Fe-CoSOH nanosheetson nickel foam. This nanoneedle-nanosheet architecture provides abundantactive sites, optimized charge transfer pathways, and enhanced electrolytewettability. Electrochemical tests show that the resulting catalystexhibits excellent OER activity in 1.0 M KOH, requiring an overpotentialof 230 mV to achieve a current density of 10 mA cm–2, with a Tafel slope of 35.37 mV dec–1. Notably,it maintains stable operation for over 600 h at a current densityof 100 mA cm–2. Mechanism studies reveal that sulfurdoping optimizes the electronic structure and promotes the reconstructioninto the active CoOOH phase at a lower potential. Finite element simulationsconfirm that the hierarchical structure enhances the local electricfield and reactant transport. This work provides an effective strategyfor synergistically improving electrocatalytic performance throughanion engineering and structural design.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21652–21660"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092452","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

Speciation-ImprovedModeling of U(VI) Extraction bythe Monoamide MOEHA Using the Mikulin–Sergievskii–DannusApproach 基于mikulin - sergievskii - dannus法的单酰胺MOEHA提取U（VI）的物种改进建模

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2026-10-14 DOI: 10.1021/acs.iecr.6c02972

Thibau Blanc,Pauline Moeyaert,Thomas Dumas,Philippe Guilbaud

{"title":"Speciation-Improved\u0000Modeling of U(VI) Extraction by\u0000the Monoamide MOEHA Using the Mikulin–Sergievskii–Dannus\u0000Approach","authors":"Thibau Blanc,Pauline Moeyaert,Thomas Dumas,Philippe Guilbaud","doi":"10.1021/acs.iecr.6c02972","DOIUrl":"https://doi.org/10.1021/acs.iecr.6c02972","url":null,"abstract":"Abstract The development of sustainable alternatives to conventional PUREX reprocessing is a major challenge in the nuclear fuel cycle, and monoamide-based solvent extraction has emerged as one of the promising approaches for next-generation spent nuclear fuel reprocessing. The process study requires a reliable thermodynamic model to simulate and optimize solvent extraction operations. In this study, batch extractions of nitric acid and uranium(VI) were performed using 1.2 mol·L–1 MOEHA in Isane IP185, with various nitric acid and uranium concentrations. UV–Vis spectroscopic spectra decompositions were carried out to determine uranium speciation in the organic phase. The spectra were decomposed assuming the formation of two major complexes during the extraction of uranium: the predominant dinitrate species (MOEHA)2(UO2)(NO3)2― and the minor trinitrate species (MOEHA)x(HNO3)(UO2)(NO3)2―whose concentration increases with nitric acid content. The speciation data were incorporated into the thermodynamic model implemented in the PAREX+ simulation tool. The model was able to efficiently reproduce uranium, nitric acid, and water extraction data. Including the concentration gap of the dinitrate complex in the parameter optimization improved the prediction of uranium speciation while maintaining good agreement with experimental distributions. Validation using independent data sets confirmed the robustness of the model across varying extractant concentrations. This work improves the physicochemical description of uranium extraction by MOEHA and strengthens the reliability of the thermodynamic model for process design and optimization within the spent nuclear fuel reprocessing framework.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"13 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149210242","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

Entrainer Screening, Vapor–Liquid Equilibrium Measurement, and Extractive Distillation Simulation for the Ethyl Propionate–Ethanol Azeotropic System 丙酸乙酯-乙醇共沸体系的夹带剂筛选、气液平衡测量和萃取精馏模拟

IF 3.9 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2026-10-14 Epub Date: 2026-09-28 DOI: 10.1021/acs.iecr.6c01223

Ying Qiao, Xiuyu Zhang, Yun Zou, Ruining He, Zhangfa Tong

{"title":"Entrainer Screening, Vapor–Liquid Equilibrium Measurement, and Extractive Distillation Simulation for the Ethyl Propionate–Ethanol Azeotropic System","authors":"Ying Qiao, Xiuyu Zhang, Yun Zou, Ruining He, Zhangfa Tong","doi":"10.1021/acs.iecr.6c01223","DOIUrl":"https://doi.org/10.1021/acs.iecr.6c01223","url":null,"abstract":"The separation of ethyl propionate(EtPr) from the EtPr-ethanol(EtOH) azeotropic system is a challenging industrial problem. Herein,252 ionic liquids (ILs) were screened via COSMO-RS theory, and tributylmethylammoniumacetate ([N4441][Ac]) was selected as the optimal extractivedistillation entrainer by evaluating selectivity and infinite-dilutionsolvent capacity. Vapor–liquid equilibrium (VLE) data of theEtPr (1) + EtOH (2) + [N4441][Ac] (3) system were measuredat 101.3 kPa. The added [N4441][Ac] effectively improvedthe relative volatility of EtPr and completely eliminated the azeotropeat an IL mole fraction of 8%. The NRTL model provided accurate datacorrelation with reliable thermodynamic consistency. An optimizedextractive distillation process was established via Aspen Plus V11to obtain high-purity EtPr and EtOH. Economic analysis shows thatthe proposed process reduces total annual cost (TAC) by 18.75% and38.83% compared with ethylene glycol-based extractive distillationand vacuum distillation, respectively.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21839–21858"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149173713","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