AIChE Journal最新文献

An artificial neural network‐based drag model modification method for microbubble flow 基于人工神经网络的微泡流阻力模型修正方法

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-09-01 DOI: 10.1002/aic.70639

Linxiao Zhai, Yizhou Cui, Chengxiang Li, Yuhui Li, Yitong Cheng, Yunpeng Zhao, Xingying Lan, Jinsen Gao, Chunming Xu, Xiaogang Shi

引用次数: 0

Alloy‐vacancy engineering evolved from Al– OH anchored NiCo layered structure enables durable methane dry reforming 由氢氧化铝锚定NiCo层状结构演变而来的合金空位工程使甲烷持久干重整成为可能

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-09-01 DOI: 10.1002/aic.70645

Quanqi Zhang, Zhonghua Jiang, Bo Yang, Binbin He, Ye Yang, Yucai Qin, Jian Zheng, Yi Mei, Yun Zu

{"title":"Alloy‐vacancy engineering evolved from Al– OH anchored NiCo layered structure enables durable methane dry reforming","authors":"Quanqi Zhang, Zhonghua Jiang, Bo Yang, Binbin He, Ye Yang, Yucai Qin, Jian Zheng, Yi Mei, Yun Zu","doi":"10.1002/aic.70645","DOIUrl":"https://doi.org/10.1002/aic.70645","url":null,"abstract":"Alloying Ni with another metal on γ‐Al 2 O 3 support holds considerable promise to enhance carbon‐resistance in dry reforming of methane (DRM), yet its effectiveness is constrained by poorly controlled alloy structure and surface Al‐OH groups. Herein, bimetallic NiCo/γ‐Al 2 O 3 catalysts were designated using electropositive NiCo complexes via a strong electrostatic adsorption strategy. The NiCo alloy and oxygen vacancy were primarily derived from the evolution of surface Al‐ μ 2 ‐OH and Al‐ μ 3 ‐OH groups anchored NiCo layered structures. The optimized Ni 3.0 Co 3.0 Al catalyst achieved near‐thermodynamic‐equilibrium CH 4 and CO 2 conversions, along with ultra‐low coke deposition rate (0.03 mg coke ·g cat −1 ·h −1 ) after 200 h on‐stream at 600°C. Microkinetic and in situ FTIR studies elucidated the reaction mechanism, wherein CH x * species from CH 4 decomposition on atomically uniform NiCo alloys were rapidly eliminated by surface Al–OH and reactive O* generated from CO 2 dissociation on limited oxygen vacancies, forming labile HCOO* and CH x O* intermediates, while effectively suppressing the Boudouard reaction, thereby ensuring exceptional catalyst longevity.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"22 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148860798","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

Interfacial modulation promoted CC coupling in selective methane oxidation to ethanol 界面调制促进了甲烷选择性氧化制乙醇过程中C - γ - C偶联

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-09-01 DOI: 10.1002/aic.70637

Ke‐Xin Li, Weimin Huang, Jingwen Huang, Zhenyuan He, Shanshan Chen, Shifeng Wang, Yong Li, Yuanhao Wang, Zhun Hu

{"title":"Interfacial modulation promoted CC coupling in selective methane oxidation to ethanol","authors":"Ke‐Xin Li, Weimin Huang, Jingwen Huang, Zhenyuan He, Shanshan Chen, Shifeng Wang, Yong Li, Yuanhao Wang, Zhun Hu","doi":"10.1002/aic.70637","DOIUrl":"https://doi.org/10.1002/aic.70637","url":null,"abstract":"Selective methane oxidation to ethanol remained a formidable challenge. Herein, MOF‐derived In 2 O 3 was synthesized via MIL‐68(In) pyrolysis. The optimized In 2 O 3 ‐500 achieved an ethanol yield of 10.8 mmol·g −1 ·h −1 under full‐spectrum illumination. These performances were attributed to carboxylate type CO related interfacial modulation, which enriched surface electron density and promoted CC coupling. During derivation, precursor derived carbon species were retained as carboxylate type CO related structures and interacted with the InO framework, inducing surface charge redistribution. Compared with In 2 O 3 ‐400, which retained residual MOF structures, and highly crystalline In 2 O 3 ‐600, which exhibited severe charge recombination, In 2 O 3 ‐500 exhibited a higher surface electron density and enhanced ·OH and ·CH 3 generation, thereby promoting the stepwise oxidation of *CH 3 to *CH 3 O and *CH 2 O. The enriched *CH 2 O and *CH 3 intermediates further facilitated C–C coupling to form ethanol. These findings highlighted the role of electron‐rich surfaces in steering methane conversion toward ethanol.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"9 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148860799","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

Surfactant headgroup charge density governs the interfacial microenvironment for selective H 2 O 2 electrosynthesis 表面活性剂头基电荷密度决定了选择性h2o2电合成的界面微环境

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-08-31 DOI: 10.1002/aic.70642

Ruizhen Song, Lei Dong, Yumei Qiao, Wangxin Ge, Chaoyi Yu, Haiyan Wang, Hongliang Jiang, Chunzhong Li

{"title":"Surfactant headgroup charge density governs the interfacial microenvironment for selective H 2 O 2 electrosynthesis","authors":"Ruizhen Song, Lei Dong, Yumei Qiao, Wangxin Ge, Chaoyi Yu, Haiyan Wang, Hongliang Jiang, Chunzhong Li","doi":"10.1002/aic.70642","DOIUrl":"https://doi.org/10.1002/aic.70642","url":null,"abstract":"Electrolyte engineering effectively steers reaction selectivity in electrochemical H 2 O 2 synthesis via the two‐electron oxygen reduction reaction (2e − ORR), yet rational additive design remains challenging due to limited understanding of how molecular structure governs interfacial microenvironments. Herein, we establish the headgroup charge density of anionic surfactants as a key descriptor for 2e − ORR selectivity. Systematic comparison of four dodecyl‐chain surfactants (sodium dodecyl sulfate, SDS; sodium dodecyl benzene sulfonate, SDBS; sodium dodecyl sulfonate, SDSO; sodium monododecyl phosphate, SMDP) reveals a selectivity order (SMDP > SDSO > SDBS > SDS) that correlates directly with headgroup charge density and K + binding strength. Multiscale investigations show that high‐charge‐density headgroups participate in K + solvation, displacing water and rigidifying the interfacial hydrogen‐bond network, creating a kinetic bottleneck for proton transfer that suppresses *OOH over‐reduction. Consequently, the SMDP‐modified electrolyte achieves 98% Faradaic efficiency at 200 mA cm −2 in a flow cell with stable 44 h operation.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"17 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148860802","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

Direct numerical simulation of gas–liquid flow and mass transfer processes in a vibrating particle cluster 振动粒子团簇中气液流动和传质过程的直接数值模拟

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-08-31 DOI: 10.1002/aic.70584

Yumei Yong, Hanyang Mo, Zhonghuo Deng, Xinpeng Nie, Baocang Ma, Chao Yang

引用次数: 0

Flow nonuniformity effects on catalyst effectiveness in particle‐scale trickle‐bed reaction–transport coupling 颗粒级滴流床反应-输运耦合中流动不均匀性对催化剂效能的影响

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-08-31 DOI: 10.1002/aic.70633

Xi Chen, Shihan Wang, Jipeng Zhou, Zipeng Yang, Quanming Lyu, Jianzhong Yin, Laibin He

{"title":"Flow nonuniformity effects on catalyst effectiveness in particle‐scale trickle‐bed reaction–transport coupling","authors":"Xi Chen, Shihan Wang, Jipeng Zhou, Zipeng Yang, Quanming Lyu, Jianzhong Yin, Laibin He","doi":"10.1002/aic.70633","DOIUrl":"https://doi.org/10.1002/aic.70633","url":null,"abstract":"In trickle‐bed reactors, flow nonuniformity and wetting heterogeneity strongly affect mass transfer and catalyst effectiveness. A coupled CFD model was developed at the local packed‐bed scale for DMT hydrogenation to investigate the effects of wetting behavior, flow distribution, catalyst geometry, and multi‐particle interactions. Under isolated particle conditions, the relationship between internal effectiveness factor and Thiele modulus was established for complete and partial wetting states, and empirical correlations incorporating wetting fraction were developed with high accuracy ( R 2 = 0.9984 and 0.9974; MAPE = 2.50% and 3.21%). External flow simulations revealed that local velocity variations generated surface concentration heterogeneity and diffusion limitations, which were alleviated by increasing liquid velocity. Trilobe catalysts improved internal diffusion but introduced additional external transport resistance. In multi‐particle systems, interparticle liquid retention weakened downstream reactant transport and caused a progressive decline in effectiveness factor. These findings provide insights into catalyst design and operating optimization in trickle‐bed reactors.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"386 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148860800","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 coupled coalescence model considering the effect of the surface deformation before and after droplet collision 考虑液滴碰撞前后表面变形影响的耦合聚结模型

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-08-31 DOI: 10.1002/aic.70641

Runjian Liu, Gang Lin, Ling Zhang, Runci Song, Yefeng Zhou, Zhengming Yi, Luchang Han

引用次数: 0

Steam‐methane reforming on a Joule‐heated Ni/ ZrO 2 coated FeCrAl wire: Rate enhancement, support effects and multiplicity 焦耳加热Ni/ ZrO - 2涂层FeCrAl丝上的蒸汽甲烷重整：速率增强、支撑效应和多样性

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-08-29 DOI: 10.1002/aic.70618

Elmer B. Ledesma, Dev Patel, Michael P. Harold

{"title":"Steam‐methane reforming on a Joule‐heated Ni/ ZrO 2 coated FeCrAl wire: Rate enhancement, support effects and multiplicity","authors":"Elmer B. Ledesma, Dev Patel, Michael P. Harold","doi":"10.1002/aic.70618","DOIUrl":"https://doi.org/10.1002/aic.70618","url":null,"abstract":"This study examines direct Joule heating of catalyst‐coated FeCrAl wires as a potential electrification method for steam‐methane reforming (SMR). Application of a voltage across a coil coated with Ni/ZrO 2 or Ni/Al 2 O 3 reveals interesting and contrasting features. Under otherwise identical conditions involving a methane feed in excess steam, the Ni/ZrO 2 ‐coated wire exhibits significantly enhanced performance compared to the Ni/Al 2 O 3 ‐coated wire. Methane conversion is shown to be a multi‐valued function of power in the form of a counterclockwise hysteresis loop. The addition of H 2 to the feed is shown to eliminate the lower steady‐state branch resulting in a single‐valued monotonic conversion vs. power curve. The coated‐wire system exhibits an optimal power setting at which electrical energy is maximized. A phenomenological mechanism is proposed that explains the main features of the data, including the enhanced activity, H 2 promotional effect, and steady‐state multiplicity.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"32 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148853324","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

Cu‐modified Ni– CaO dual‐function materials with tuned CO adsorption for enhanced integrated CO 2 capture and methanation Cu -改性Ni - CaO双功能材料，具有调节CO吸附，增强co2捕获和甲烷化

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-08-29 DOI: 10.1002/aic.70630

Wenwen Zhang, Huina Chen, Chengxiong Dang, Weiquan Cai

{"title":"Cu‐modified Ni– CaO dual‐function materials with tuned CO adsorption for enhanced integrated CO 2 capture and methanation","authors":"Wenwen Zhang, Huina Chen, Chengxiong Dang, Weiquan Cai","doi":"10.1002/aic.70630","DOIUrl":"https://doi.org/10.1002/aic.70630","url":null,"abstract":"The integrated CO 2 capture and methanation reaction (ICCU‐M) offers a promising route for simultaneous CO 2 capture and direct conversion to CH 4 . However, achieving high CH 4 selectivity remains challenging—particularly at elevated temperatures (>500°C). In this work, introducing Cu into Ni–CaO dual function materials was found to modulate the CO adsorption capacity of Ni sites. As a result, the CH 4 selectivity increased from 93.00% over 5Ni–CaO to 96.77% over 5Ni0.5Cu–CaO at 525°C. Characterization results revealed that Cu incorporation facilitates the formation of a Ni–Cu solid solution, rendering the Ni surface electron‐rich. This electronic modification strengthens CO adsorption and promotes its subsequent hydrogenation to CH 4 . Nevertheless, excessive Cu loading leads to overly strong CO adsorption, which may compete with H 2 adsorption and activation—thereby diminishing CH 4 selectivity. Moreover, in situ DRIFTS results reveal that the direct hydrogenation pathway with HCOO* as a key intermediate species may predominate in the carbonate conversion process.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"2 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148853325","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

Kinetic insights into propylene epoxidation with H 2 and O 2 over Au/ TS ‐1: Reaction network and intrinsic kinetics 在Au/ TS‐1上用h2和o2进行丙烯环氧化的动力学研究：反应网络和内在动力学

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-08-28 DOI: 10.1002/aic.70619

Daiyi Yu, Zhihua Zhang, Yang Zheng, Jundi Wang, Sijia Wang, Guanghua Ye, Xinggui Zhou

{"title":"Kinetic insights into propylene epoxidation with H 2 and O 2 over Au/ TS ‐1: Reaction network and intrinsic kinetics","authors":"Daiyi Yu, Zhihua Zhang, Yang Zheng, Jundi Wang, Sijia Wang, Guanghua Ye, Xinggui Zhou","doi":"10.1002/aic.70619","DOIUrl":"https://doi.org/10.1002/aic.70619","url":null,"abstract":"Direct propylene epoxidation with H 2 and O 2 over Au/TS‐1 is an attractive alternative for the production of propylene oxide (PO), and acquiring its reaction kinetics is essential for the industrialization of this process. Herein, its intrinsic kinetics are established by using Au/TS‐1‐B with template‐blocked micropores, which enables the elimination of catalyst deactivation and micropore diffusion effects. The established reaction network shows that propanal and acetone are formed via PO isomerization and propylene‐derived hydro‐oxidation, and CO 2 mainly originates from PO deep oxidation on Au sites. The co‐feeding experiments reveal that there exist strong and weak adsorption for C 3 H 6 or PO on Au sites, and competitive adsorption of C 3 H 6 , PO, and H 2 O on Ti sites. Based on the above understanding, a Langmuir–Hinshelwood intrinsic kinetic model is proposed and validated. This model exhibits excellent applicability to well predict the data obtained from our kinetic experiments and those reported in the literature.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"42 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148836275","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