AIChE JournalPub Date : 2026-10-12DOI: 10.1002/aic.70696
Lizhi Wu, Yuyan Gan, Yu Tang, Wei Lin, Xing Huang, Peng Wang, Huibo Zhao, Hua Yang, Fan Bo, Sen Wang, Prasert Reubroycharoen, Thachapan Atchimarungsri, Li Tan
{"title":"GaPt alloy in HZSM ‐5 for highly stable ethane dehydroaromatization","authors":"Lizhi Wu, Yuyan Gan, Yu Tang, Wei Lin, Xing Huang, Peng Wang, Huibo Zhao, Hua Yang, Fan Bo, Sen Wang, Prasert Reubroycharoen, Thachapan Atchimarungsri, Li Tan","doi":"10.1002/aic.70696","DOIUrl":"https://doi.org/10.1002/aic.70696","url":null,"abstract":"The dehydroaromatization of ethane to aromatics is a highly attractive yet challenging route for valorizing the second‐most abundant component of natural gas. Here, we report bimetallic xGa0.8Pt/HZSM‐5 catalysts that exhibit markedly enhanced stability and coke resistance compared to their monometallic counterparts. The optimal 0.5Ga0.8Pt/HZSM‐5 catalyst affords an initial ethane conversion of 52% and an aromatics space–time yield of 5.4 mmol <jats:sub>arom</jats:sub> ·g <jats:sub>cat</jats:sub> <jats:sup>−1</jats:sup> ·h <jats:sup>−1</jats:sup> , with an exceptionally low deactivation rate constant of 0.007 h <jats:sup>−1</jats:sup> over 10 h. An optimal Ga/Pt ratio fosters a strong synergistic effect, as evidenced by gas adsorption–desorption and <jats:italic>in situ</jats:italic> spectroscopic studies. Crucially, active site characterization reveals that the GaPt alloy formed in this catalyst works in concert with the acid sites of HZSM‐5, enhancing both dehydrogenation and aromatization while simultaneously suppressing coke formation. These findings provide direct evidence for the promotional role of bimetallic alloy sites and offer a rational strategy for designing stable Pt‐based catalysts for light alkane dehydroaromatization.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"28 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149172990","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}
{"title":"Mechanism‐based kinetic modeling of standard NH 3 ‐ SCR over Cu‐ SSZ ‐13 catalysts using experimentally determined parameters","authors":"Guangxin Tian, Meiqing Shen, Shuhuan Wang, Yilin Wang, Peng Cheng, Zhiying Liu, Chunjuan Zhang, Shuohan Yang, Feng Gao, Gurong Shen","doi":"10.1002/aic.70685","DOIUrl":"https://doi.org/10.1002/aic.70685","url":null,"abstract":"Cu‐SSZ‐13 is a key catalyst for NH <jats:sub>3</jats:sub> ‐SCR in mobile aftertreatment systems, yet reliable kinetic modeling remains challenging due to the complex interplay among Cu speciation, NH <jats:sub>3</jats:sub> solvation, and oxidation side reactions. In this work, NO oxidation, NH <jats:sub>3</jats:sub> oxidation, and standard SCR over Cu‐SSZ‐13 catalysts with varying Cu loadings were systematically investigated, and a mechanism‐informed kinetic model was developed using experimentally derived kinetic parameters. The results show that NO oxidation and NH <jats:sub>3</jats:sub> oxidation are primarily associated with multinuclear Cu species, whereas standard SCR mainly proceeds on exchanged Cu ions through Cu <jats:sup>II</jats:sup> /Cu <jats:sup>I</jats:sup> redox cycling. Both NH <jats:sub>3</jats:sub> oxidation and standard SCR exhibit distinct low‐ and high‐temperature kinetic regimes associated with NH <jats:sub>3</jats:sub> ‐solvated mobile Cu species and framework‐bound immobile Cu species, respectively. The model successfully reproduces experimental reaction behavior across various Cu loadings and temperatures, demonstrating the effectiveness of experimentally constrained kinetic modeling for SCR reactor simulation and aftertreatment system optimization.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"31 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149172904","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}
AIChE JournalPub Date : 2026-10-12DOI: 10.1002/aic.70683
Lu Zhao, Hai‐Xia Zhao, Meng Li, Wei Yang, Zhi‐Yuan Guo, Lei Wang, Panpan Zhang, Jing Wang, Zhi‐Yong Ji
{"title":"Breaking single‐ion limits: Charge compensation enables concurrent Li/Br recovery and LiBr enrichment in produced water","authors":"Lu Zhao, Hai‐Xia Zhao, Meng Li, Wei Yang, Zhi‐Yuan Guo, Lei Wang, Panpan Zhang, Jing Wang, Zhi‐Yong Ji","doi":"10.1002/aic.70683","DOIUrl":"https://doi.org/10.1002/aic.70683","url":null,"abstract":"Produced water from oil and gas fields contains Li <jats:sup>+</jats:sup> and Br <jats:sup>−</jats:sup> resources, but their low concentrations and complex coexisting ions make efficient recovery difficult. A charge‐compensated dual‐electrode system is developed for simultaneous Li <jats:sup>+</jats:sup> /Br <jats:sup>−</jats:sup> recovery and LiBr enrichment. LiMn <jats:sub>2</jats:sub> O <jats:sub>4</jats:sub> (LMO) serves as the Li <jats:sup>+</jats:sup> capture electrode, while rGO <jats:sub>20</jats:sub> ‐BOB is used for Br <jats:sup>−</jats:sup> capture. Introducing rGO regulates the growth and assembly of BiOBr (BOB) nanosheets, forming a microflower‐like structure with improved Br <jats:sup>−</jats:sup> accessibility and conductivity. In the optimized L <jats:sub>1−x</jats:sub> MO/rGO <jats:sub>20</jats:sub> ‐BOB <jats:sub>1−x</jats:sub> electrode system, Li <jats:sup>+</jats:sup> and Br <jats:sup>−</jats:sup> extraction capacities reach 25.1 and 137.1 mg g <jats:sup>−1</jats:sup> , respectively. In actual produced water from Zigong, Li <jats:sup>+</jats:sup> and Br <jats:sup>−</jats:sup> adsorption capacities reach 21.3 and 20.9 mg g <jats:sup>−1</jats:sup> , and approximately 0.5 mmol LiBr is obtained in a single adsorption/desorption cycle. This system shows potential for coupling efficient Li <jats:sup>+</jats:sup> /Br <jats:sup>−</jats:sup> recovery with LiBr enrichment from complex produced water, offering a simplified route for high‐value utilization of oil and gas fields produced water.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"33 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149172988","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}
AIChE JournalPub Date : 2026-10-10DOI: 10.1002/aic.70653
Wentao Hou, Chen Yang, Haibo Zhu
{"title":"Gravity‐driven double emulsion droplet formation: Interfacial dynamics and stability control","authors":"Wentao Hou, Chen Yang, Haibo Zhu","doi":"10.1002/aic.70653","DOIUrl":"https://doi.org/10.1002/aic.70653","url":null,"abstract":"Gravity‐driven double emulsion droplet formation in a hydrocarbon‐ammonia column is industrially important yet poorly understood. By combining high‐speed imaging with adaptive‐mesh‐refinement volume‐of‐fluid simulations, a distinct oil‐coating route is revealed: a preformed hydrosol droplet crosses the macroscale oil–aqueous interface and entrains oil to form the outer shell, whose trailing oil bridge undergoes necking and pinch‐off. During oil‐coating, reserved droplet/wake momentum and constant gravity promote penetration, whereas capillarity, buoyancy, and viscous dissipation resist it. Successful encapsulation requires penetration to persist until sustained necking begins; earlier reversal causes rebound‐type failure. By affecting driving contribution or resistance, increasing hydrosol density or decreasing oil viscosity facilitates oil‐coating, while droplet size reduction narrows hydrodynamic margin for success. As practical tuning approaches, replacing paraffin with lower‐viscosity kerosene raised consecutive successes from <30 to >500; locally enriching surfactant to further mitigate capillary constraint enabled 212 consecutive formations for size‐reduced inner droplets (2.5 mm equivalent diameter).","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"9 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149151395","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}
AIChE JournalPub Date : 2026-10-09DOI: 10.1002/aic.70675
Ao Yang, Juncong Wu, Wei Deng, Zong Yang Kong, Zihao Wang, Tao Shi, Weifeng Shen
{"title":"Enhancement of ternary extractive distillation via the ionic liquid and deep eutectic solvent from multi‐scale insights","authors":"Ao Yang, Juncong Wu, Wei Deng, Zong Yang Kong, Zihao Wang, Tao Shi, Weifeng Shen","doi":"10.1002/aic.70675","DOIUrl":"https://doi.org/10.1002/aic.70675","url":null,"abstract":"To achieve the goals of energy conservation and carbon reduction in chemical production, this study aims to find a novel green entrainer to replace traditional organic entrainers. First, ionic liquids (ILs) and deep eutectic solvents (DESs) that balance environmental performance and separation efficiency were designed and screened using ECOSAR toxicity assessment and the COSMO‐RS model. Additionally, the separation mechanism of the selected entrainers toward the azeotropic systems was investigated through molecular thermodynamics. Finally, the separation performance of single entrainers and mixed entrainers was verified through process simulation. Economic benefits and environmental performance were used as evaluation metrics and the results showed that the optimized process scheme using the mixed entrainer ([DCE‐O][MMMIM] + TMAH:NHS (2:1)) achieved a 20.97% cost saving and a 29.91% reduction in carbon emissions compared to the dimethyl sulfoxide (DMSO) system. Its performance was also superior to that of single ILs or DESs.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"86 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149130474","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}
AIChE JournalPub Date : 2026-10-09DOI: 10.1002/aic.70682
Lei Hu, Zhikang Wu, Xiaoying Zhou, Junjie Peng, Guang Miao, Xinxin Li, Yanze Du, Chong Peng, Jing Xiao
{"title":"Inverse adsorption strategy for\u0000 n\u0000 ‐hexane ultra‐deep purification on Zn‐\u0000 LTA\u0000 zeolite via pressure swing adsorption","authors":"Lei Hu, Zhikang Wu, Xiaoying Zhou, Junjie Peng, Guang Miao, Xinxin Li, Yanze Du, Chong Peng, Jing Xiao","doi":"10.1002/aic.70682","DOIUrl":"https://doi.org/10.1002/aic.70682","url":null,"abstract":"The production of ultra‐high purity <jats:italic>n</jats:italic> ‐hexane ( <jats:italic>n</jats:italic> HEX, ≥99.99%) is critical for electronics industry, yet its purification from branched and cyclic isomers remains challenging. Herein, we develop a Zn <jats:sup>2+</jats:sup> ‐exchanged LTA zeolite (0.05Zn‐LTA), which forms hierarchical micro‐mesoporous structure at Zn <jats:sup>2+</jats:sup> exchange degree of 78%. This unique architecture enhances <jats:italic>n</jats:italic> HEX diffusion by approximately two orders of magnitude (from 3.6 × 10 <jats:sup>−5</jats:sup> to 6.7 × 10 <jats:sup>−3</jats:sup> s <jats:sup>−1</jats:sup> ). 0.05Zn‐LTA exhibits an <jats:italic>n</jats:italic> HEX uptake of 155 mg g <jats:sup>−1</jats:sup> at 298 K and <jats:italic>P</jats:italic> / <jats:italic>P</jats:italic> <jats:sub>0</jats:sub> = 0.9, with high selectivity and excellent cyclic stability. Predicted high‐temperature adsorption isotherms and breakthrough curves confirm its excellent dynamic capacity for <jats:italic>n</jats:italic> HEX at 473 K. To mimic its performance in <jats:italic>n</jats:italic> HEX purification, the pressure swing adsorption process (PSA‐4S‐PE) is developed, upgrading <jats:italic>n</jats:italic> HEX purity from 99.1% to 99.9929%, with 96.05% recovery and productivity of 1.05 mol kg <jats:sup>−1</jats:sup> h <jats:sup>−1</jats:sup> . This study demonstrates 0.05Zn‐LTA as a promising adsorbent for energy‐efficient PSA to produce electronic‐grade <jats:italic>n</jats:italic> HEX through the reverse adsorption of bulk compounds.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"11 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149151396","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}