AIChE Journal最新文献

{"title":"A coupled kinetic-transport model for inhibiting etherification in synthesis of polyethylene naphthalate","authors":"Fahu Yang, Dong Liu, Cheng Cheng, Qiuzhen Chen, Jintao Ju, Liyao Feng, Jingyi Wang, Wenjun Yuan, Fei Chen","doi":"10.1002/aic.70422","DOIUrl":"https://doi.org/10.1002/aic.70422","url":null,"abstract":"During the polycondensation of polyethylene naphthalate (PEN), diethylene glycol (DEG) units induced via etherification side reactions significantly weaken the thermal properties of the resulting PEN. The DEG content is determined by both the polymerization rate and the mass transfer of condensation by-products, and decoupling these two processes is essential to minimize DEG formation. In this study, we developed a coupled kinetic and transport model by introducing a fraction factor (<i>f</i>_<i>i</i>) to quantitatively describe the partitioning of ethylene glycol molecules between diffusive mass transfer and participation in etherification side reactions. The maximum of <i>f</i>_i together with its uncertainty bounds defines an optimal reaction temperature window at which ethylene glycol preferentially undergoes mass transfer rather than etherification, thereby minimizing DEG formation. The optimized PEN exhibits a low DEG content of 0.388%, 49% lower than values reported in previous studies (0.76–1.35%). This model clarifies DEG formation mechanisms and guides industrial PEN production.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"33 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147755265","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":"Simulation and optimization of acoustic streaming field in bath-type sonoreactors considering cavitation attenuation","authors":"Bowen Yang, Side Ren, Liyan Liu","doi":"10.1002/aic.70434","DOIUrl":"https://doi.org/10.1002/aic.70434","url":null,"abstract":"High-intensity ultrasound induces significant acoustic flow in liquids, but cavitation-caused attenuation alters its characteristics. Most existing studies use linear models neglecting bubble nonlinearity, causing discrepancies. This paper investigates a bath-type sonoreactor with a nonlinear model accounting for cavitation. The 3D acoustic streaming field is reconstructed numerically. PIV experiments verify the results. Drive power is positively correlated with streaming intensity; optimal flow is at 90 W. Reactor width affects lateral jet coverage; 375 mm width at 90 W gives superior mixing. Liquid level modulates pressure gradient; best flow is at 4–5 wavelengths in a 300 mm-wide reactor. The optimal parameter combo is 90 W, 6 wavelengths width, and 5 wavelengths level.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"139 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147755270","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":"Deep learning-driven image analysis for online monitoring and optimization of oiling-out spherical crystallization","authors":"Jian Liu, Jingwei Cai, Yanbo Liu, Muyang Li, Leping Dang, Huaiyu Yang, Zhenguo Gao, Junbo Gong","doi":"10.1002/aic.70418","DOIUrl":"https://doi.org/10.1002/aic.70418","url":null,"abstract":"Oiling-out crystallization is a green, efficient route to spherical products with improved powder properties. However, key measurements and operational decisions often rely on offline tests and operator experience, causing low efficiency and high trial-and-error cost. Here, a deep learning workflow converts process images into quantitative metrics and decision triggers. Oiling-out crystallization of ethyl vanillin was online monitored and images of droplets and spherical particles were analyzed by deep learning model. By extracting droplet size and number, quenching was triggered when oiling-out equilibrium was detected, defining operation time. After spherical particles formed, particle size and 2-dimensional sphericity were extracted online for quality evaluation. Results show that higher stirring speed accelerated equilibrium and reduced product size, while early partial sodium dodecyl sulfate addition at the same speed yielded smaller spheres and better powder properties. This workflow provides a scalable template for online optimization and intelligent control of oiling-out crystallization.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"9 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147753504","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":"Magnetic field-assisted concentration swing adsorption for CO2 capture over Fe3O4/fibrous nanosilica-PEI adsorbent","authors":"Xiaohao Jia, Fateme Rezaei","doi":"10.1002/aic.70404","DOIUrl":"https://doi.org/10.1002/aic.70404","url":null,"abstract":"Magnetic field-assisted concentration swing adsorption (CSA) provides an electrification-compatible alternative to conventional temperature swing adsorption (TSA) by enabling rapid heating/cooling and energy-efficient regeneration under near-isothermal conditions, thereby eliminating the need for sensible heat input. Here, Fe₃O₄ nanoparticles were integrated with fibrous nanosilica (FNS) and polyethylenimine (PEI) to construct a magnetically responsive adsorbent for near-isothermal CSA of CO₂. Benefiting from the radially fibrous pore structure of FNS, Fe₃O₄/FNS-PEI70 exhibited fast adsorption kinetics (&lt;2 min) and a high CO₂ adsorption capacity (4.2 mmol/g) at 80°C. Magnetic induction enabled efficient adsorbent regeneration and acheived 92.6% CO₂ desorption at the same temperature. Humidity significantly enhanced CO₂ capture (10.6 mmol/g at RH = 80%) without affecting the CSA process, whereas SO₂ caused irreversible deactivation and NO showed negligible adsorption. Under concentration swing conditions studied, a theoretical regeneration energy of 2.0 MJ/ kg_CO2 was estimated for magnetic field-assisted CSA process, which was significantly lower than that of TSA, highlighting its promise as an energy-efficient and scalable pathway for electrified CO₂ capture.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"26 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147753521","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":"Organic phosphorus-based ionic liquids for extraction of valuable metals from spent lithium-ion batteries","authors":"Bin Jiang, Ruisong Zhu, Qinghua Liu, Yongqiang Cheng, Minghao Song, Fei Zhao, Zhigang Lei","doi":"10.1002/aic.70420","DOIUrl":"https://doi.org/10.1002/aic.70420","url":null,"abstract":"Traditional phosphonic acid extractants such as P507 often exhibit limited extraction efficiency. Herein, a synergistic extraction strategy is developed to enhance the recovery and separation of valuable metals from acidic leachates of spent lithium-ion batteries (LIBs) by modulating P507 with lidocaine (Lid), thereby eliminating the need for saponification pretreatment and acidification. Metal extraction proceeds via combined cation-exchange and coordination mechanisms. Quantum chemical calculations and molecular dynamics simulations reveal the metal-binding sites in the ionic liquid [LidH][P507], providing theoretical guidance for synergistic extractant design. The system achieves high recoveries of Co&lt;sup&gt;2+&lt;/sup&gt; (98.85%), Ni&lt;sup&gt;2+&lt;/sup&gt; (95.13%), and Mn&lt;sup&gt;2+&lt;/sup&gt; (99.97%), with separation factors of up to 250.56 (&lt;span data-altimg=\"/cms/asset/6585ee25-fac3-4819-9521-a33c1d4f01ed/aic70420-math-0001.png\"&gt;&lt;/span&gt;&lt;mjx-container ctxtmenu_counter=\"3\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 103%; position: relative;\" tabindex=\"0\"&gt;&lt;mjx-math aria-hidden=\"true\" location=\"graphic/aic70420-math-0001.png\"&gt;&lt;mjx-semantics&gt;&lt;mjx-mrow&gt;&lt;mjx-msub data-semantic-children=\"0,4\" data-semantic- data-semantic-role=\"greekletter\" data-semantic-speech=\"beta Subscript upper C o divided by upper L i\" data-semantic-type=\"subscript\"&gt;&lt;mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic- data-semantic-parent=\"5\" data-semantic-role=\"greekletter\" data-semantic-type=\"identifier\"&gt;&lt;mjx-c&gt;&lt;/mjx-c&gt;&lt;/mjx-mi&gt;&lt;mjx-script style=\"vertical-align: -0.177em;\"&gt;&lt;mjx-mrow data-semantic-children=\"1,3\" data-semantic-content=\"2\" data-semantic- data-semantic-parent=\"5\" data-semantic-role=\"division\" data-semantic-type=\"infixop\" size=\"s\"&gt;&lt;mjx-mi data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"4\" data-semantic-role=\"unknown\" data-semantic-type=\"identifier\"&gt;&lt;mjx-c&gt;&lt;/mjx-c&gt;&lt;mjx-c&gt;&lt;/mjx-c&gt;&lt;/mjx-mi&gt;&lt;mjx-mo data-semantic- data-semantic-operator=\"infixop,/\" data-semantic-parent=\"4\" data-semantic-role=\"division\" data-semantic-type=\"operator\" rspace=\"1\" space=\"1\"&gt;&lt;mjx-c&gt;&lt;/mjx-c&gt;&lt;/mjx-mo&gt;&lt;mjx-mi data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"4\" data-semantic-role=\"unknown\" data-semantic-type=\"identifier\"&gt;&lt;mjx-c&gt;&lt;/mjx-c&gt;&lt;mjx-c&gt;&lt;/mjx-c&gt;&lt;/mjx-mi&gt;&lt;/mjx-mrow&gt;&lt;/mjx-script&gt;&lt;/mjx-msub&gt;&lt;/mjx-mrow&gt;&lt;/mjx-semantics&gt;&lt;/mjx-math&gt;&lt;mjx-assistive-mml display=\"inline\" unselectable=\"on\"&gt;&lt;math altimg=\"urn:x-wiley:00011541:media:aic70420:aic70420-math-0001\" display=\"inline\" location=\"graphic/aic70420-math-0001.png\" xmlns=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;semantics&gt;&lt;mrow&gt;&lt;msub data-semantic-=\"\" data-semantic-children=\"0,4\" data-semantic-role=\"greekletter\" data-semantic-speech=\"beta Subscript upper C o divided by upper L i\" data-semantic-type=\"subscript\"&gt;&lt;mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic-parent=\"5\" data-semantic-role=\"greeklette","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"21 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147751482","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":"Thermodynamics and modeling of efficient MAE-TGBE-H2O phase-separating CO2 absorbents","authors":"Xin Ta, Qiang Sun, Min Xiao, Zhiwu Liang, Hongxia Gao","doi":"10.1002/aic.70392","DOIUrl":"https://doi.org/10.1002/aic.70392","url":null,"abstract":"Phase-separating absorbents show promise for reducing energy consumption, as desorption requires heating only the CO₂-enriched phase. This study investigates triethylene glycol monobutyl ether (TGBE) as a phase-separation promoter for the N-methylaminoethanol (MAE)–water system. The role of TGBE in restructuring hydrogen-bond networks and promoting rich-phase aggregation was analyzed using gas–liquid–liquid equilibrium, ¹³C NMR, gas chromatography, and molecular dynamics (MD) simulations. Experimental results demonstrate that TGBE significantly reduces rich-phase volume while achieving CO₂ equilibrium loadings of 3.59 mol/kg for water-containing systems and 4.73 mol/kg for water-free systems. MD simulations reveal that CO₂ absorption redistributes intermolecular interactions, where strengthened hydrogen bonds between water and ionic species drive polar rich-phase aggregation. Furthermore, an empirical model, a GBDT-based predictive model, and a modified Deshmukh–Mather framework were developed to describe phase behavior with AARDs of 2.81%, 4.58%, and 6.61%, respectively. These findings provide a theoretical foundation for designing energy-efficient CO₂ capture systems.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"1 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147753503","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":"Engineering heterostructured high-entropy oxide catalyst toward superior regeneration in dry reforming of methane","authors":"Kaihui Li, Qinlan Luo, Tong Zhang, Hongtao Wang, Xiaohong Li, Jian Zhou, Xinhui Lu, Guoqiang Shen, Yangqiang Huang, Xiao Luo, Hao Chen","doi":"10.1002/aic.70427","DOIUrl":"https://doi.org/10.1002/aic.70427","url":null,"abstract":"Dry reforming of methane (DRM) offers a direct route to convert CO₂ and CH₄ into syngas, but catalyst deactivation by active metal sintering and coking limits industrial adoption. Here, we report a high-entropy heterojunction catalyst, Mn(CuZnNiMgCo)₂O₄-CuZnNiMgCoO_<i>x</i>, which couples entropy-stabilized lattices with reversible regenerability for DRM. The reaction-induced exsolution of the NiCuCo metallic solid solution enabled the catalyst to achieve 94.9% CH₄ and 82.7% CO₂ conversion at 800°C and exhibit higher stability than single phase high-entropy oxides. In situ XRD and EDS elemental mappings of spent Mn(CuZnNiMgCo)₂O₄-CuZnNiMgCoO_<i>x</i> proved that the spent catalyst can be fully restored by air treatment at 900°C, where NiCuCo metallic solid solution redisperse into the HEO lattice and carbon deposits are removed, re-establishing the heterojunction. This reversible dissolution–precipitation cycle enables repeated regeneration, with post-regeneration activity essentially recovering to that of the pristine material. Our work provides new insights into designing regenerable novel DRM catalysts.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"29 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147755268","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":"Directional construction of micron‐scale vertical MOFs channels for ultrafast, in‐parallel CO 2 transport","authors":"Ziheng Li, Wenji Zheng, Fengting Yao, Zhixu Yun, Yan Dai, Xuehua Ruan, Miao Yu, Tiantian Li, Xiaobin Jiang, Xuemei Wu, Gaohong He","doi":"10.1002/aic.70393","DOIUrl":"https://doi.org/10.1002/aic.70393","url":null,"abstract":"Constructing vertically aligned, penetrating metal–organic framework (MOFs) gas transfer pathways within mixed matrix membranes (MMMs) is an effective strategy for optimizing gas transport under low filler loading (≤25 wt.%). Herein, we developed a novel “stack‐polymerize‐section” process to construct vertically aligned ZIF‐8 pathways in MMMs by tailoring the density and channel size of PAN@ZIF‐8 NFM for optimizing CO <jats:sub>2</jats:sub> ultrafast and in‐parallel transport. The designed XLPEO/PAN@ZIF‐8 MMM exhibits excellent performance far exceeding the 2019 McKeown upper bound, with CO <jats:sub>2</jats:sub> permeability and CO <jats:sub>2</jats:sub> /N <jats:sub>2</jats:sub> selectivity of 369.2 Barrer and 90.0, respectively. Meanwhile, a novel parallel computational model that synergistically integrates the Maxwell model with resistance‐based (RB) model methodology was proposed to introduce the interfacial resistance coefficient derived from polymer–MOFs interface heterogeneous concentration gradients. This work demonstrates the potential of vertically aligned MOFs channels for high‐performance gas separation, providing a scalable and controllable fabrication pathway for maximizing the efficiency of MOFs in membrane technology.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"67 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147751508","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":"Asking the 5 W's for designing next-generation bioprocessing","authors":"Sangdo Yook, Karoline Maria Vieira Nogueira, Raj Sukumar, Jenna Miller, Hal S. Alper","doi":"10.1002/aic.70430","DOIUrl":"https://doi.org/10.1002/aic.70430","url":null,"abstract":"Biotechnology is expanding beyond traditional, centralized fermentation and toward next-generation bioprocessing paradigms that emphasize flexible deployment outside the laboratory with application-specific performance. However, many bioprocesses fail to translate beyond proof-of-concept into industrially viable systems because early design decisions are often misaligned with economic, operational, and temporal constraints. In this perspective, we propose the systematic use of the traditional “5 W” questions (Who, What, Where, Why, and When) as a unifying framework for guiding the design of next-generation bioprocesses. Rather than serving as a checklist, the 5 W's function as a design lens to interrogate host selection, yield constraints, deployment context, purpose, and timing of bioprocesses. Through examples spanning conventional and non-conventional bioprocesses, we illustrate how neglecting these considerations can yield technically elegant yet operationally irrelevant systems. We argue that early qualitative framing through the 5 W's can reduce costly redesign and accelerate translation of next-generation biotechnology into industrially relevant applications.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"27 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147755267","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":"Engineering cooperatively differentiated active sites for efficient C?N coupling driven urea electrosynthesis","authors":"Lijuan Yu, Qingshuang Ma, Yongyong Cao, Yuxuan Ding, Weiyi Wang, Qineng Xia, Yuqin Lu, Suiqin Li, Zheng Yan, Jianming Yu","doi":"10.1002/aic.70424","DOIUrl":"https://doi.org/10.1002/aic.70424","url":null,"abstract":"Electrochemical co-conversion of CO₂ and NO₃⁻ to urea is promising yet limited by sluggish C<span></span>N coupling. Here, we engineer cooperatively differentiated active sites by integrating Ce and In onto BNNs., yielding a BN-CeIn electrocatalyst that decouples reactant activation from C<span></span>N coupling while maintaining strong site-site synergy. The optimized catalyst delivers a urea yield of 695.54 μg h⁻¹ mg_cat⁻¹ with a Faradaic efficiency of 50% in an H-cell. Combined in situ spectroscopic analysis and density functional theory (DFT) calculations reveal that Ce sites preferentially mediate NO₃⁻ and CO₂ activation, facilitated by electronic interactions with neighboring In sites. In contrast, In sites selectively lower the energy barrier for C<span></span>N bond formation by promoting the coupling of adsorbed *CO and *NH₂ intermediates to form *CONH₂. This cooperative active-site differentiation accelerates co-reduction kinetics and boosts urea selectivity, providing a framework for designing electrocatalysts to break C<span></span>N coupling limits in urea synthesis.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"26 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147739210","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}