AIChE Journal最新文献

Precise tailoring of nickel crystalline phase for efficient low‐temperature aqueous ethanol coupling to higher alcohols 精确定制镍晶相，用于高效低温水乙醇与高级醇的偶联

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-10-20 DOI: 10.1002/aic.70720

Yuli Chen, Xiaoping Wu, Haitong Chen, Ruiheng Chen, Xuyang Liu, Wenxin Guo, Jiajin Li, Fan Yang, Songbai Qiu, Qian Zhang, Tiejun Wang

{"title":"Precise tailoring of nickel crystalline phase for efficient low‐temperature aqueous ethanol coupling to higher alcohols","authors":"Yuli Chen, Xiaoping Wu, Haitong Chen, Ruiheng Chen, Xuyang Liu, Wenxin Guo, Jiajin Li, Fan Yang, Songbai Qiu, Qian Zhang, Tiejun Wang","doi":"10.1002/aic.70720","DOIUrl":"https://doi.org/10.1002/aic.70720","url":null,"abstract":"Low‐temperature (≤100°C) aqueous‐phase ethanol coupling over hexagonal close‐packed nickel (hcp‐Ni) exhibits great potential for higher alcohol (HA) synthesis and conversion of crude fermentation broth. Precise control of Ni crystalline phase remains challenging. Herein, we develop a hydrogen‐induced phase‐engineering strategy to synthesize hcp/fcc‐Ni catalysts with tunable hcp‐Ni fractions (0%–100%). Under reaction conditions, ethanol conversion correlates positively with hcp‐Ni content At 100°C, hcp‐Ni delivers 28.2% ethanol conversion, twice the value of mixed‐phase hcp/fcc‐Ni and superior to benchmark noble‐metal catalysts. A cyclic system with HA product separation between batches is demonstrated over six batch cycles, corresponding to 432 h of cumulative reaction time. Characterizations and calculations analyses suggest that the geometric and electronic characteristics of hcp‐Ni(014) favor initial ethanol activation, consistent with its lower OH bond‐cleavage barrier. This work provides insight into the phase–activity relationship between hcp‐Ni phase fraction and ethanol conversion and guides phase engineering of Ni‐based catalysts.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"28 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221445","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

Radial hierarchical carbon spheres for Pt‐efficient oxygen and hydrogen catalysis in anion exchange membrane fuel cells 负离子交换膜燃料电池中铂高效氧和氢催化的径向分级碳球

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-10-20 DOI: 10.1002/aic.70724

Xiaorong Jiao, Pincai Lai, Lei Fu, Xingmao Jiang, Paulina R. Martínez‐Alanis, Congcong Xing, Andreu Cabot, Xiang Wang

{"title":"Radial hierarchical carbon spheres for Pt‐efficient oxygen and hydrogen catalysis in anion exchange membrane fuel cells","authors":"Xiaorong Jiao, Pincai Lai, Lei Fu, Xingmao Jiang, Paulina R. Martínez‐Alanis, Congcong Xing, Andreu Cabot, Xiang Wang","doi":"10.1002/aic.70724","DOIUrl":"https://doi.org/10.1002/aic.70724","url":null,"abstract":"Efficient oxygen reduction reaction (ORR) and hydrogen oxidation reaction (HOR) bifunctional catalysts are essential for anion exchange membrane fuel cells (AEMFCs), but the high cost and limited durability of Pt‐based catalysts remain major barriers to practical implementation. Herein, we report an ethanol‐mediated interfacial co‐assembly strategy to synthesize hollow carbon spheres (CS) with a center‐symmetric radial hierarchical architecture. This open porous framework provides spatial confinement and abundant anchoring sites for highly dispersed Pt nanoparticles, while the radial channels facilitate mass transport and improve active‐site accessibility. The optimized Pt/CS‐71 catalyst delivers excellent ORR and HOR activity in alkaline electrolyte. Finite element simulations further indicate that radial channels act as efficient mass‐transport pathways, reducing diffusion resistance and promoting reactant penetration throughout the hollow carbon framework. When applied in AEMFCs, Pt/CS‐71 enables a peak power density of 1.15 W cm −2 and a mass power density of 7.92 W mg PGM −1 , together with stable long‐term operation.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"13 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221389","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

A fixed‐fluidized‐bed reactor eliminating nanocatalyst loss and enhancing mass/heat transfer in CO 2 methanation 固定流化床反应器消除了纳米催化剂的损失，提高了co2甲烷化过程的质量/传热

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-10-19 DOI: 10.1002/aic.70714

Bingcai He, Jiaqiang Sun, Shaoyang Jiang, Hongliang Yi, Annai Liu, Guofeng Zhao, Lianying Wang, Junfeng Liu, Xue Duan

{"title":"A fixed‐fluidized‐bed reactor eliminating nanocatalyst loss and enhancing mass/heat transfer in CO 2 methanation","authors":"Bingcai He, Jiaqiang Sun, Shaoyang Jiang, Hongliang Yi, Annai Liu, Guofeng Zhao, Lianying Wang, Junfeng Liu, Xue Duan","doi":"10.1002/aic.70714","DOIUrl":"https://doi.org/10.1002/aic.70714","url":null,"abstract":"Nanocatalysts hold strong promise for heterogeneous catalysis; however, their application is hindered by catalyst attrition and loss in conventional fluidized‐bed reactors or mass/heat‐transfer limitations in fixed‐bed reactors. To address these questions, this study presents a novel design of fixed‐fluidized‐bed reactor with multiple chambers separated by porous plates, achieving localized bubbling fluidization of nanocatalysts in each chamber. The reactor module was manufactured by 3D printing technology. Employing CO 2 methanation as a model reaction, the fixed‐fluidized‐bed reactor demonstrates low pressure drop, reduced catalyst attrition and loss, and high mass and heat transfer ability. Specifically, the as‐proposed reactor exhibited a negligible pressure drop, reduced the catalyst loss to only 0.26%, achieved a 29.8% increase in CO 2 conversion, and enhanced the apparent heat transfer coefficient fourfold. This design strategy offers broad applicability and provides key design principles for reactors that efficiently utilize nanocatalysts.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"6 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149218621","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

Inorganic–organic dual modification for enhanced Ni–Mo synergy in efficient NiMoS hydrodesulfurization catalysts 无机-有机双改性增强高效NiMoS加氢脱硫催化剂中Ni-Mo协同作用

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-10-19 DOI: 10.1002/aic.70708

Cong Zhang, Ankang Yao, Yanwei Ju, Changle Yue, Fengyue Sun, Qingde Zhang, Wenjing Bao, Yukun Lu

{"title":"Inorganic–organic dual modification for enhanced Ni–Mo synergy in efficient NiMoS hydrodesulfurization catalysts","authors":"Cong Zhang, Ankang Yao, Yanwei Ju, Changle Yue, Fengyue Sun, Qingde Zhang, Wenjing Bao, Yukun Lu","doi":"10.1002/aic.70708","DOIUrl":"https://doi.org/10.1002/aic.70708","url":null,"abstract":"NiMoS hydrodesulfurization (HDS) catalysts were synthesized through an inorganic–organic dual modification strategy with molybdenum‐based polyoxometalates (POMs) as precursors. Molybdenum metal powder partially reduced Mo(VI) to Mo(V) while preserving the Keggin framework, generating electron‐rich heteropoly blue species that strengthened electrostatic association with Ni 2+ . Simultaneously, citric acid (CA) coordinated Ni 2+ to regulate promoter dispersion and, upon sulfidation, formed carbonaceous species that may contribute to weaker active phase–support interactions. This dual regulation of the precursor electronic structure and coordination environment enhanced Mo sulfidation, Ni–Mo synergy, and the formation of NiMoS active sites with favorable MoS 2 morphology. The optimized S‐NiPMo 12 ‐CA‐red/Al 2 O 3 catalyst achieved 99.4% dibenzothiophene conversion at 300 °C and 5.5 MPa H 2 , with a k HDS value of 1.2 × 10 −6 mol DBT g cat. −1 s −1 and a turnover frequency of 2.4 × 10 −3 s −1 . This work establishes precursor‐level dual regulation as an effective route for designing advanced HDS catalysts.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"44 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149218620","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

Machine‐learning‐assisted systematic screening of non‐ionic deep eutectic solvents for CO 2 capture 机器学习辅助系统筛选二氧化碳捕获的非离子深度共晶溶剂

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-10-19 DOI: 10.1002/aic.70698

Jingwen Wang, Hao Qin, Qian Zeng, Fanjing Wei, Youzhi Liu, Weizhou Jiao

{"title":"Machine‐learning‐assisted systematic screening of non‐ionic deep eutectic solvents for CO 2 capture","authors":"Jingwen Wang, Hao Qin, Qian Zeng, Fanjing Wei, Youzhi Liu, Weizhou Jiao","doi":"10.1002/aic.70698","DOIUrl":"https://doi.org/10.1002/aic.70698","url":null,"abstract":"Machine learning (ML) offers a promising approach for predicting CO 2 solubility, yet its application to the systematic screening of non‐ionic deep eutectic solvents (DESs) remains limited. Herein, a ML‐assisted framework integrating COSMO‐RS‐derived molecular descriptors, theoretical screening, and experimental validation is developed for CO 2 capture. Random forest and support vector regression (SVR) models are systematically compared, with the optimized SVR model exhibiting superior predictive performance. Strict leave‐one‐DES‐out validation further demonstrates its generalization capability. Virtual screening of 1051 DES candidates identifies three imidazole/ethylene glycol DESs with favorable absorption performance, which are experimentally validated with Henry's law constants of 8.53–10.02 MPa at 303.15 K. A residual‐correction transfer‐learning strategy is further employed to evaluate the transferability of the established model to SO 2 solubility prediction. Molecular‐level analysis reveals that electrostatic complementarity and vdW interactions govern CO 2 absorption. This work provides an efficient strategy for systematic non‐ionic DES screening and CO 2 capture.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"16 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149218619","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

Unveiling the hidden mechanism on adsorption–deformation coupling: A perturbative insight 揭示吸附-变形耦合的隐藏机制：一个摄动的洞察

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-10-19 DOI: 10.1002/aic.70709

Zongli Sun, Tongtong Dou, Yanshuang Kang, Junxia Zhang

引用次数: 0

Metal–support interaction regulates structure sensitivity of Ni catalysts in CO 2 methanation 金属-载体相互作用调节co2甲烷化过程中Ni催化剂的结构敏感性

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-10-17 DOI: 10.1002/aic.70693

Yue Dong, Jinquan Ming, Xiaohu Ge, Gang Qian, De Chen, Xuezhi Duan, Yueqiang Cao

{"title":"Metal–support interaction regulates structure sensitivity of Ni catalysts in CO 2 methanation","authors":"Yue Dong, Jinquan Ming, Xiaohu Ge, Gang Qian, De Chen, Xuezhi Duan, Yueqiang Cao","doi":"10.1002/aic.70693","DOIUrl":"https://doi.org/10.1002/aic.70693","url":null,"abstract":"CO 2 methanation over Ni‐based catalysts is affected by the coupled influences of Ni ensemble structures and metal–support interactions, making the origin of structure sensitivity difficult to clarify. Here, Ni/Al 2 O 3 and Ni/MgAlO x catalysts with comparable Ni particle sizes were constructed to examine how distinct support environments modify size‐dependent methanation. The MgAlO x matrix derived from layered double hydroxides provides a confined coordination environment that stabilizes metallic Ni ensembles with weaker Ni‐O coordination than Al 2 O 3 . On Ni/Al 2 O 3 , decreasing Ni–O coordination with increasing particle size is accompanied by an increase‐and‐plateau trend in surface‐Ni‐normalized activity. Ni/MgAlO x shows a nonmonotonic activity trend with a maximum at approximately 9.2 nm, while 10.4‐Ni/MgAlO x maintains CH 4 selectivity above 99% under high‐conversion conditions. Mechanistic studies indicate that MgAlO x regulates carbon‐intermediate evolution via a dominant CO‐mediated route and slower formate‐associated transformation, balancing CO adsorption and hydrogen availability to limit CO accumulation and favor CH 4 formation.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"7 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149198896","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

Cluster‐based decentralized transformers for cyberattack detection and resilient recovery in integrated process networks 集成过程网络中用于网络攻击检测和弹性恢复的基于集群的分散变压器

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-10-17 DOI: 10.1002/aic.70694

Amirsalar Bagheri, Amirmohammad Ebrahimi, Davood B. Pourkargar

{"title":"Cluster‐based decentralized transformers for cyberattack detection and resilient recovery in integrated process networks","authors":"Amirsalar Bagheri, Amirmohammad Ebrahimi, Davood B. Pourkargar","doi":"10.1002/aic.70694","DOIUrl":"https://doi.org/10.1002/aic.70694","url":null,"abstract":"Highly integrated process systems are vulnerable to adversarial cyberattacks that can corrupt sensor measurements, destabilize closed‐loop operation, and propagate across interconnected units. To address these challenges, this study presents decentralized transformer‐based detection and identification frameworks that integrate graph‐based community detection with topology‐aware process decomposition, reducing dimensionality while preserving structural interdependencies. Using a benzene alkylation process as a benchmark, two architectures are evaluated: a joint end‐to‐end transformer and a hierarchical two‐tier framework. Across multiple attack types, results show that subsystem‐level decomposition improves the consistency of network‐level attack detection and identification. Comparisons with centralized approaches further demonstrate that joint learning within the decentralized end‐to‐end transformer outperforms hierarchical task separation for network‐level detection and identification, although reconstruction performance remains scenario‐dependent. The proposed frameworks are coupled with a localized extended Kalman filter‐based reconstruction to recover compromised measurements and maintain closed‐loop stability, enabling effective recovery from single‐sensor attacks and stable mitigation of coordinated multi‐sensor attacks.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"33 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149198898","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

A stress‐balance‐based critical Weber number for droplets and bubbles 基于应力平衡的液滴和气泡的临界韦伯数

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-10-17 DOI: 10.1002/aic.70695

Supratim S. Dipta, Krishnamurthy Ravichandar, R. Dennis Vigil, Rodney O. Fox, Michael G. Olsen

引用次数: 0

CO 2 ‐triggered transformation of switchable porous deep eutectic solvents to porous ionic liquids for CO 2 separation co2触发的可切换多孔深共晶溶剂转化为多孔离子液体用于co2分离

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-10-17 DOI: 10.1002/aic.70706

Zixuan Xu, Lei Luo, Qing Zhao, Huiqin Xu, Hang Li, Youting Wu, Xiaomin Zhang

{"title":" CO 2 ‐triggered transformation of switchable porous deep eutectic solvents to porous ionic liquids for CO 2 separation","authors":"Zixuan Xu, Lei Luo, Qing Zhao, Huiqin Xu, Hang Li, Youting Wu, Xiaomin Zhang","doi":"10.1002/aic.70706","DOIUrl":"https://doi.org/10.1002/aic.70706","url":null,"abstract":"Here, we develop a methodology to prepare a class of CO 2 ‐triggered switchable porous deep eutectic solvents (PDESs) by anchoring DBU/alcohol pairs onto the surface of UiO‐66‐NH 2 nanoparticles. Notably, CO 2 can trigger the transformation of PDESs into porous ionic liquids (PILs), and the reverse process can be achieved by bubbling transformation N 2 at 50°C. The as‐prepared PDESs achieved excellent separation of both CO 2 /C 2 H 2 and CO 2 /CH 4 . Combined density functional theory, molecular dynamics, and grand canonical Monte Carlo simulations confirm that the outstanding performance is mainly attributed to the DBU/alcohol pair, which serves as a functional layer that selectively recognizes CO 2 . Considering the diversity of porous hosts, the applicability of this methodology was confirmed by replacing the porous host. To our knowledge, this is the first study to disclose the transition between DESs and ILs using CO 2 in porous liquids.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"7 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149198921","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