AIChE JournalPub Date : 2025-10-15DOI: 10.1002/aic.70109
Haoliang Wang, Runci Song, Jie Chen, Li Yang, Jingcai Cheng, Xiangyang Li, Chao Yang
{"title":"Direct insight into particle swarm dynamics and its effects in dense solid–liquid suspensions using inline image method","authors":"Haoliang Wang, Runci Song, Jie Chen, Li Yang, Jingcai Cheng, Xiangyang Li, Chao Yang","doi":"10.1002/aic.70109","DOIUrl":"https://doi.org/10.1002/aic.70109","url":null,"abstract":"Concentrated suspensions of very high phase fractions (>10%) significantly complicate hydrodynamic characteristics in multiphase reactors. The inline image method proposed recently provides the possibility to peer into dense particle swarm dynamics, previously considered an impossible mission. In this work, the method was further developed to determine the particle-resolved flow field and comprehensive datasets of particles within a swarm. Transient swarm microstructure demonstrated two aggregation states, that is, doublets and multiplets, accompanied by frequent collisions and friction. Statistical analysis indicated the damping effect on slip velocity and net force induced by the particle swarm became significant as solid holdup reached 13.2%, which markedly enhanced particle suspension. Through correlation analysis of dynamic datasets and relevant mechanisms, the viscous effect and hindrance effect exerted by the particle swarm were quantitatively elucidated for the first time. Accordingly, a correlation was proposed to predict the swarm effect on axial slip velocity, and good agreement was demonstrated across wide concentration ranges.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"26 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145288963","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":"Unlocking high stability and selectivity in reverse water–gas shift over a synergistic MoCO catalyst","authors":"Xiaolong Li, Manni Sun, Zhiyan Yang, Xiru Wang, Yongning Ma, Junli Zhu, Zhuoya Zhao, Yuhao Yang","doi":"10.1002/aic.70111","DOIUrl":"https://doi.org/10.1002/aic.70111","url":null,"abstract":"The reverse water‐gas shift (RWGS) reaction is vital for CO<jats:sub>2</jats:sub> utilization and carbon cycling, yet catalyst stability and CO selectivity remain major challenges due to its endothermic nature and competing methanation. Here, a synergistic α‐Mo<jats:sub>2</jats:sub>C:MoO<jats:sub>2</jats:sub> (MoCO) catalyst with carbide–oxide interactions was in situ constructed via a one‐step temperature‐programmed calcination, achieving high dispersion and synergy. MoCO‐3.5 (Mo/C = 1:3.5) reached near‐equilibrium CO<jats:sub>2</jats:sub> conversions (50.56% at 500°C, 74.71% at 800°C) and >99.6% CO selectivity under H<jats:sub>2</jats:sub>/CO<jats:sub>2</jats:sub> = 3:1 at industrial space velocity (8400 mL·g<jats:sub>cat</jats:sub><jats:sup>−1</jats:sup>·h<jats:sup>−1</jats:sup>), maintaining stability for 120 h without coking. Mechanistic studies revealed a hydrogen‐assisted formate pathway, and weak CO adsorption enabled rapid desorption, effectively suppressing methanation. This synergy‐driven structural regulation strategy offers a promising strategy for designing highly stable and CO‐selective non‐noble metal RWGS catalysts.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"21 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145282692","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 : 2025-10-14DOI: 10.1002/aic.70106
Qingling Xu, Bin Shao, Zheyi Sun, Zihao Gao, Zhicheng Xie, Jun Hu
{"title":"Co‐O‐Zn interface engineering for boosting CO2 hydrogenation to light olefins","authors":"Qingling Xu, Bin Shao, Zheyi Sun, Zihao Gao, Zhicheng Xie, Jun Hu","doi":"10.1002/aic.70106","DOIUrl":"https://doi.org/10.1002/aic.70106","url":null,"abstract":"The carbon dioxide (CO<jats:sub>2</jats:sub>) hydrogenation to light olefins (CO<jats:sub>2</jats:sub>‐to‐C<jats:sub>2</jats:sub>‐C<jats:sub>4</jats:sub><jats:sup>=</jats:sup>) represents a promising approach for its high‐value utilization but faces the crucial challenges of low CO<jats:sub>2</jats:sub> conversion efficiency and olefin selectivity. Herein, we develop an oxide–oxide interface engineering strategy to boost CO<jats:sub>2</jats:sub>‐to‐C<jats:sub>2</jats:sub>‐C<jats:sub>4</jats:sub><jats:sup>=</jats:sup>. A high CO<jats:sub>2</jats:sub> conversion efficiency of 27.4% and C<jats:sub>2</jats:sub>‐C<jats:sub>4</jats:sub><jats:sup>=</jats:sup> yield of 15.3% with excellent stability for 200 h are achieved on optimized CoO<jats:sub><jats:italic>x</jats:italic></jats:sub>/ZnGa<jats:sub>2</jats:sub>O<jats:sub>4</jats:sub>–2.5/SAPO‐34 through the oxide–zeolite (OX‐ZEO) bifunctional tandem route. The well‐controlled Co‐O‐Zn oxide–oxide interface in CoO<jats:sub><jats:italic>x</jats:italic></jats:sub>/ZnGa<jats:sub>2</jats:sub>O<jats:sub>4</jats:sub> facilitates the bidentate adsorption of CO<jats:sub>2</jats:sub>, enabling the exposed C atom to be attracted by spilled‐over H* from the heterolytic cleavage on adjacent Zn‐O. Accordingly, the preferentially produced HCOO* leads to effective CO<jats:sub>2</jats:sub> conversion and selective generation of methanol precursor. Therefore, this oxide–oxide interfacial engineering offers a promising strategy for achieving highly efficient CO<jats:sub>2</jats:sub>‐to‐C<jats:sub>2</jats:sub>‐C<jats:sub>4</jats:sub><jats:sup>=</jats:sup> through OX‐ZEO route.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"64 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145282691","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":"Investigation on global and local RTD, mixing, and heat transfer of a high‐throughput passive chaotic microreactor","authors":"Shi‐Xiao Wei, Ying Liu, Ting‐Liang Xie, Shuang‐Feng Yin","doi":"10.1002/aic.70085","DOIUrl":"https://doi.org/10.1002/aic.70085","url":null,"abstract":"Understanding residence time distribution (RTD) and mass/heat performance is crucial for microreactor design and optimization. This study investigates global and local RTD in a chaotic microreactor using computational fluid dynamics (CFD) simulations and experiments, and a new RTD model is established. Global RTD analysis indicates that higher flow rates reduce channeling and stagnant flows, decreasing RTD variance by 80.7% within the range of 5–20 mL/min. Local RTD analysis reveals continuous stirred tank reactor (CSTR)‐like mixing characteristics within individual stages, enabling rapid homogenization. Enhanced chaotic mixing reduces micromixing time by four orders of magnitude at high flow rates, and significantly improves heat transfer, with an increase in Nusselt number of 220.7%. Optimized RTD and intensified chaotic mixing collectively establish a spatiotemporally uniform reaction environment, enabling high‐throughput synthesis of Mn<jats:sub>0.75</jats:sub>Ni<jats:sub>0.25</jats:sub>CO<jats:sub>3</jats:sub> microparticles with a uniform size distribution (<jats:italic>σ</jats:italic> = 0.36 μm), demonstrating scalable synthesis potential.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"7 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145246841","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":"100% CO2 selectivity Fe2O3/Fe3O4 redox pair of Ba‐hexaferrite for CO2 capture via relay oxygen donation","authors":"Yanyan Zhu, Yumei Zhou, Lihua Chen, Haitao Zhu, Haonan Chen, Ruilin Liu, Jiahui He, Qian Yang, Jun Hu, Chuande Huang, Xiaodong Wang","doi":"10.1002/aic.70100","DOIUrl":"https://doi.org/10.1002/aic.70100","url":null,"abstract":"Engineering an iron‐based oxygen carrier with high oxygen transport capacity (O<jats:sub>t</jats:sub>) surpassing Fe<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub>/Fe<jats:sub>3</jats:sub>O<jats:sub>4</jats:sub> redox pair without decreasing CO<jats:sub>2</jats:sub> selectivity and recyclability remains a substantial obstacle for CO<jats:sub>2</jats:sub> capture via chemical looping combustion (CLC) technology. Herein, we propose a novel strategy by confining iron‐cations into the matrix of BaFe<jats:sub>12</jats:sub>O<jats:sub>19</jats:sub> hexaferrite, which exhibited both superior O<jats:sub>t</jats:sub> of 3.0 mmol/g with 100% CO<jats:sub>2</jats:sub> selectivity (exceeding the maximal limit of 2.08 mmol/g for pure Fe<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub> → Fe<jats:sub>3</jats:sub>O<jats:sub>4</jats:sub>), and a unique increased trend in O<jats:sub>t</jats:sub> with good recyclability during 50 redox cycles, different from most reported Fe‐based OCs. The high O<jats:sub>t</jats:sub> and recyclability were closely related to the “relay oxygen supply” involving the preferential diffusion route of the mirror plane in Ba‐hexaferrite and <jats:italic>in situ</jats:italic> formation of nanosized Ba‐modified Fe<jats:sub>3</jats:sub>O<jats:sub>4</jats:sub>/FeO. The cyclic redox treatment induced more Ba<jats:sup>2+</jats:sup> into Fe oxides and the surface enrichment of Ba<jats:sup>2+</jats:sup>, thus ensuring high recyclability with increased O<jats:sub>t</jats:sub> during the later redox cycles.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"197 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145235272","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":"Emulsion interfacial nanoarchitectonics with a biomimetic channel‐architected polymer for enhanced biocatalysis","authors":"Zhiyong Sun, Mengyao Wang, Nanxiang Shen, Lanxin Ren, Xiaofei Chen, Jianming Yu","doi":"10.1002/aic.70092","DOIUrl":"https://doi.org/10.1002/aic.70092","url":null,"abstract":"Overcoming mass transfer limitations at the water–organic interface is critical in biphasic biocatalysis. Inspired by the natural cellular processes such as endocytosis and transport proteins, we developed an amphiphilic polymer with jellyfish‐like nanoarchitectonics to engineer the emulsion interface. This polymer forms dynamic micelles to compartmentalize hydrophobic compounds and creates channel‐like structures that facilitate substrate transfer across the phase boundary. Compared to the single‐chain polymer, the jellyfish‐inspired emulsifier significantly enhanced the biphasic biotransformation across diverse reactions. In the un‐emulsified systems, the channel‐structured polymer boosted the yield of the benzaldehyde lyase‐catalyzed benzoin condensation reaction by over 50% relative to controls. In the emulsified systems, a 77% higher efficiency was achieved in the multi‐enzyme cascade reaction involving aromatic and aliphatic substrates, underscoring its versatility. This work bridges the gap between polymer architecture design and biocatalytic performance, offering a biomimetic strategy to engineer emulsion interfaces for revolutionizing mass transfer in biphasic systems.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"46 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145228904","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 : 2025-10-04DOI: 10.1002/aic.70094
Álmos Orosz, Monika Neal, Rekha Rao, Christine Roberts, Botond Szilágyi, Zoltán K. Nagy
{"title":"2D population balance modeling and ML‐based multi‐objective optimization for the crystallization process of resveratrol","authors":"Álmos Orosz, Monika Neal, Rekha Rao, Christine Roberts, Botond Szilágyi, Zoltán K. Nagy","doi":"10.1002/aic.70094","DOIUrl":"https://doi.org/10.1002/aic.70094","url":null,"abstract":"Crystallization is critical in pharmaceutical manufacturing, influencing active pharmaceutical ingredient (API) purity and processability. This study models the cooling crystallization of resveratrol in a water‐ethanol solvent using a two‐dimensional population balance model (2D‐PBM). Experimental data from Focused Beam Reflectance Measurement (FBRM), UV/Vis spectroscopy, and microscopy supported model calibration via design of experiments. The well‐calibrated model enabled multi‐objective optimization (MOO) to (1) maximize yield and minimize batch time, and (2) explore the relationship between aspect ratio and median crystal size. While the first scenario showed minimal trade‐offs, the second revealed a balance between aspect ratio and size/yield. A hybrid approach combining mechanistic modeling with machine learning drastically accelerated simulations and enabled efficient prediction of Pareto‐optimal solutions. This integration offers a scalable and accurate optimization strategy for complex crystallization processes.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"74 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145215980","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":"Lanthanide contraction effect of PdPr nanosheets boosting PET electrocatalytic value‐added conversion","authors":"Xiaoying Zhang, Ranran Wei, Zhihan Zhang, Yaxuan Li, Zekai Shen, Ruichen Geng, Yinglong Wang, Junmei Zhang, Shuli Yin","doi":"10.1002/aic.70096","DOIUrl":"https://doi.org/10.1002/aic.70096","url":null,"abstract":"With the worsening of plastic pollution and increasing attention being paid to sustainable development, the upgrading and recycling of waste plastics have become important tasks. In this study, organic ligand‐modified PdPr nanosheets (PdPr O‐NSs) with the lanthanide contraction effect are constructed and used as high‐performance electrocatalysts for the value‐added transformation of polyethylene terephthalate. PdPr O‐NSs only require a potential of 0.75 V to supply current densities of 200 mA cm<jats:sup>−2</jats:sup>. The Faraday efficiency and selectivity for the primary product glycolic acid reached 97.5% and 94.6% at 0.675 V, respectively. Density functional theory calculations confirm that the existence of Pr and <jats:italic>n</jats:italic>‐octanoic acid adjusts the electronic structure and coordination environment, improving the electron transfer efficiency and catalytic performance. This work not only provides a new strategy for constructing novel and efficient lanthanide‐doped nanomaterial electrocatalysts but also paves the way for recycling waste plastics.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"92 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145188398","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 : 2025-09-29DOI: 10.1002/aic.70099
Nie Guangze, Du Xiangqian, Cheng Qihang, Deng Guoshu, Zhou Zhihao, Pan Min, Yu Hongchao, Zhang Tongxing, He Xuehui, Yu Jiawei, Sun Zhenkun, Duan Lunbo
{"title":"Surface-engineered perovskite oxides enabling dual activation of lattice and adsorbed oxygen for CO oxidation","authors":"Nie Guangze, Du Xiangqian, Cheng Qihang, Deng Guoshu, Zhou Zhihao, Pan Min, Yu Hongchao, Zhang Tongxing, He Xuehui, Yu Jiawei, Sun Zhenkun, Duan Lunbo","doi":"10.1002/aic.70099","DOIUrl":"https://doi.org/10.1002/aic.70099","url":null,"abstract":"Catalytic oxidation using perovskite oxides is a promising technology for mitigating environmental and health risks associated with CO emissions. A fundamental constraint for perovskite oxides, however, lies in the limited low-temperature reactivity of oxygen species. While the dual activation of lattice oxygen (O<sub>latt</sub>) and adsorbed oxygen (O<sub>ads</sub>) is recognized as an effective strategy, achieving it in perovskite oxides remains a significant and underexplored challenge. This study addresses this challenge through a novel surface engineering strategy employing dilute TiCl<sub>4</sub> solution treatment. The treatment process on La<sub>0.6</sub>Sr<sub>0.4</sub>CoO<sub>3</sub> (LSCO) simultaneously achieves two distinct functions: (i) the removal of surface A-site segregation to expose Co-site termination, thereby facilitating O<sub>ads</sub> activation; (ii) the incorporation of Ti dopant, which enhances the Co<span></span>O covalency to boost O<sub>latt</sub> reactivity. This concerted dual activation mechanism enables the LSCO-Ti catalyst to operate via both Mars–van Krevelen (O<sub>latt</sub>-mediated) and Langmuir–Hinshelwood (O<sub>ads</sub>-mediated) pathways, leading to its exceptional activity of 90% CO conversion at a remarkably low temperature of 92°C. Furthermore, the Ti dopant also optimizes O<sub>2</sub> adsorption and suppresses carbonate accumulation, ensuring stable performance for over 50 h at 150°C. Our work provides a novel mechanistic framework for designing high-performance perovskite catalysts via synergistic surface modification.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"5 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145183269","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":"Bubble shape classification in a bubble column based on multi-input ConvNeXt model","authors":"Qizhou Kang, Qin Li, Zepeng Zhao, Wenxiang Tang, Xiangyang Li, Yanqiang Huang","doi":"10.1002/aic.70097","DOIUrl":"https://doi.org/10.1002/aic.70097","url":null,"abstract":"A comprehensive understanding of the continuous variation and deformation of rising bubbles is essential for precise reactor scale-up and process optimization. This work combines telecentric vision probe and bubble boundary R-CNN with a newly developed multi-input ConvNeXt to pioneer bubble shape classification under realistic flow conditions. The classification results demonstrate that ellipsoidal bubbles constitute the predominant shape (49.5%), while oblate ellipsoidal bubbles represent the smallest proportions (2.7%). Statistical analysis of <i>E</i> and <i>d</i><sub>m</sub> across all classified bubbles reveals significant distinctions: spherical and oblate ellipsoidal bubbles exhibit pronounced differences in <i>E</i> compared to other classes, whereas the remaining shapes show relative consistency. <i>d</i><sub>m</sub> varies substantially across classes, progressively increasing in the order: spherical, ellipsoidal, spherical cap, ellipsoidal cap, oblate ellipsoidal, and wobbling ellipsoidal. While our model achieves bubble classification, unresolved issues span image quality constraints, 3D shape inference from 2D data, turbulent flow coupling, and high-velocity applicability—necessitating integrated imaging-algorithm advances.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"18 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145183268","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}