AIChE Journal最新文献

Digital design and optimization of the integrated synthesis and crystallization process using data-driven approaches 采用数据驱动方法的集成合成和结晶过程的数字化设计和优化

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-06-17 DOI: 10.1002/aic.18931

Yiming Ma, Wei Li, Jiaxu Liu, Gao Shang, Huaiyu Yang, Junbo Gong, Zoltan K. Nagy, Brahim Benyahia

引用次数: 0

A tandem electro-thermocatalysis platform for practical hydrogen peroxide-mediated oxygenation reactions at high rates 串联电-热催化平台，用于实际过氧化氢介导的高速率氧化反应

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-06-11 DOI: 10.1002/aic.18930

Huijie Chen, Menglu Cai, Jianbo Shao, Ting Lin, Yan Liu, Yiming Mo

{"title":"A tandem electro-thermocatalysis platform for practical hydrogen peroxide-mediated oxygenation reactions at high rates","authors":"Huijie Chen, Menglu Cai, Jianbo Shao, Ting Lin, Yan Liu, Yiming Mo","doi":"10.1002/aic.18930","DOIUrl":"https://doi.org/10.1002/aic.18930","url":null,"abstract":"Hydrogen peroxide (H2O2) is a platform green oxidant for high-value chemical synthesis, but its centralized production hinders its widespread use in a safe manner. Here, we describe a practical tandem electro-thermochemical H2O2-mediated oxygenation platform for the synthesis of various high-value oxygen-containing compounds. The integration of solid-electrolyte H2O2 electrosynthesis with heterogeneous zeolite thermocatalysis enables atom-efficient oxygenations without the need for downstream electrolytes or catalysts separation. A spatially decoupled tandem system integrating aqueous H2O2 electrosynthesis with nonaqueous thermocatalysis offers independent optimization capabilities, thus maximizing the overall space–time yield (STY). With microfluidic packed-bed intensification for heterogeneous thermocatalysis, this tandem system achieved H2O2-mediated oxygenation of thioesters to sulfoxide at a high current density (300 mA cm−2) and STY (7.07 mmol cm−3 h−1). Furthermore, the platform's broad applicability was showcased with titanium-silicalite-1 zeolite catalyzed olefin epoxidation and cyclohexanone oxime synthesis, underscoring its potential for diverse catalytic oxygenation applications.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"41 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144260261","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

Probing bimodal sub-nanopores in carbon for ideal fast sieving separation of propylene/propane 探测碳中双峰亚纳米孔对丙烯/丙烷理想快速筛分的影响

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-06-10 DOI: 10.1002/aic.18926

Xinxin Li, Jiawu Huang, Cuiting Yang, Xingjie Wang, Xuan Wei, Xiaoying Zhou, Hao Tang, Jing Xiao

{"title":"Probing bimodal sub-nanopores in carbon for ideal fast sieving separation of propylene/propane","authors":"Xinxin Li, Jiawu Huang, Cuiting Yang, Xingjie Wang, Xuan Wei, Xiaoying Zhou, Hao Tang, Jing Xiao","doi":"10.1002/aic.18926","DOIUrl":"https://doi.org/10.1002/aic.18926","url":null,"abstract":"Rigid molecular sieve is highly desirable in industrial gas separation, but persistently challenged by sluggish adsorption within inherent rigidity-confined narrow sieving pores. Herein, we report a rigid carbon-based molecular sieve featuring ink-bottle bimodal sub-nanopores for the ideal fast sieving separation of propylene/propane mixture. The tailor-made narrow pore entrance, centered at 5.0 Å, affords precise sieving capacity for propylene over propane with a high selectivity exceeding 200. Concurrently, the larger cavity located at 6.4 Å allows the exceptional fast adsorption kinetics of propylene. The measured diffusion coefficient of propylene (4.2 × 10–3 s−1) is one to two orders of magnitude higher than state-of-the-art rigid molecular sieves and comparable to the non-steric diffusion observed in mesoporous zeolite. High-purity C3H6 production (>99.2%) is achieved in breakthrough experiments through a single adsorption–desorption cycle. This study paves an avenue to unlock rigid molecular sieves toward advanced separation of challenging gas analogues.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"585 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144260262","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

Chloride-resistant NiFe oxyhydroxides via dual-atom doping for industrial-grade alkaline seawater electrolysis 通过双原子掺杂制备工业级碱性海水电解用耐氯NiFe氧化氢氧化物

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-06-09 DOI: 10.1002/aic.18929

Lin Wang, Xiaohe Zheng, Zhengfei Chen, Jiadong Wu, Qiang Zhou, Zhongjian Li, Bin Yang, Cheng Lian, Jianguo Lu, Yuanyuan Li, Lecheng Lei, Yang Hou

{"title":"Chloride-resistant NiFe oxyhydroxides via dual-atom doping for industrial-grade alkaline seawater electrolysis","authors":"Lin Wang, Xiaohe Zheng, Zhengfei Chen, Jiadong Wu, Qiang Zhou, Zhongjian Li, Bin Yang, Cheng Lian, Jianguo Lu, Yuanyuan Li, Lecheng Lei, Yang Hou","doi":"10.1002/aic.18929","DOIUrl":"https://doi.org/10.1002/aic.18929","url":null,"abstract":"Developing efficient and stable electrocatalysts for seawater splitting remains a huge challenge because of low catalytic selectivity and poor resistance to chlorine-induced corrosion. Here, we developed a nickel-iron layered double hydroxide nanosheets doped with chromium and sulfur dual atoms (Cr,S-NiFe LDH). Cr,S-NiFe LDH exhibited low overpotentials of 321 and 406 mV at industrial current densities of 500 and 1000 mA cm−2, respectively. An anion exchange membrane electrolyzer based on Cr,S-NiFe LDH anode can maintain 2000 mA cm−2@1.764 V for 100 h. Electronic structure analysis revealed that the sulfur doping facilitates electron transfer from nickel to sulfur sites, while chromium incorporation strengthens the electronic interactions between iron and chromium sites. This modification induced the formation of high-valence nickel and chromium species, which favor seawater electrolysis. Mechanistic studies revealed that dual heteroatom doping modifies the local electronic environment of nickel/iron sites, repelling chlorine ions and optimizing the adsorption of oxygenated intermediates.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"60 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144237913","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

Novel microannular rotating bed: Hydrodynamics and liquid–liquid dispersion study 新型微环旋转床：流体力学和液-液分散研究

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-06-09 DOI: 10.1002/aic.18928

Zhiliang Zhang, Qiao Chen, Hui Xue, Guo Yang, Gongtao Wu, Wei Liu, Dongting Wang, Jianbing Ji

{"title":"Novel microannular rotating bed: Hydrodynamics and liquid–liquid dispersion study","authors":"Zhiliang Zhang, Qiao Chen, Hui Xue, Guo Yang, Gongtao Wu, Wei Liu, Dongting Wang, Jianbing Ji","doi":"10.1002/aic.18928","DOIUrl":"https://doi.org/10.1002/aic.18928","url":null,"abstract":"Microannular rotating bed (MARB) is a newly designed reactor that integrates high-gravity fields and microscale effects to enable efficient liquid mixing. This study systematically investigated the hydrodynamic and liquid–liquid dispersion characteristics of the MARB, including residence time distribution, liquid holdup, energy dissipation rate, and Sauter mean diameter (d32). Mathematical correlations for predicting these parameters were established. The results showed that the MARB operates with a flow pattern similar to that of a continuous stirred-tank reactor. Liquid holdup increased linearly with flow rate and decreased with rotational speed, while energy dissipation rate was primarily governed by rotational speed. Notably, the MARB demonstrated excellent liquid–liquid dispersion performance, attaining a minimum d32 of 4.9 μm at a flow rate of 5 L/min, along with improved energy efficiency compared to conventional reactors. With its simple, high-throughput, and effective design, the MARB offers a highly promising solution for efficient liquid–liquid dispersion in industrial applications.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"17 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144252861","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

Modeling heterogeneity in large-scale bioreactors using the method of moments with a truncated normal distribution 用截断正态分布矩量法模拟大型生物反应器的非均质性

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-06-06 DOI: 10.1002/aic.18922

Ittisak Promma, Marc G. Aucoin, Nasser Mohieddin Abukhdeir, Hector Budman

引用次数: 0

Construction and shaping of polyoxometalate‐based covalent organic framework for boosting one‐pot CO2 conversion 以多金属氧酸盐为基础的共价有机骨架的构建和成型，以促进一罐CO2的转化

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-06-05 DOI: 10.1002/aic.18927

Yi Yu, Xuquan Liu, Mingjian Shao, Jing Xiao, Chongxiong Duan, Hongxia Xi

{"title":"Construction and shaping of polyoxometalate‐based covalent organic framework for boosting one‐pot CO2 conversion","authors":"Yi Yu, Xuquan Liu, Mingjian Shao, Jing Xiao, Chongxiong Duan, Hongxia Xi","doi":"10.1002/aic.18927","DOIUrl":"https://doi.org/10.1002/aic.18927","url":null,"abstract":"Covalent organic frameworks (COFs), as potential heterogeneous catalysts, face the problem of single functional active sites in one‐pot catalysis. Herein, a polyoxometalate (POM) species, phosphomolybdic acid hydrate (PMA, H3PMo12O40) was stably integrated into the nanocages of an ionic COF (EB‐TFP). Considering practical applications, the resulting composite (EB‐TFP/PMA) powder was shaped into monolithic pellets with sufficient crushing strength and thermal stability. These materials were used in a one‐pot reaction of CO2 and olefins to obtain value‐added cyclic carbonates. Detailed activity evaluations revealed that the excellent catalytic performance (90% of main yield under the conditions of 80 C, 1 bar, 24 h and no co‐catalysts) of EB‐TFP/PMA arose from the synergistic effect of acid/base sites. The pellets also showed satisfactory catalytic performance (83% of yield under the same conditions) and good reusability. This study highlights the potential of COFs as platforms to construct synergistic active sites tailored for one‐pot catalysis.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"36 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144228673","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

Novel approach to modeling ultra‐low temperature frost formation using Computational Fluid Dynamics 利用计算流体动力学建模超低温霜形成的新方法

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-06-05 DOI: 10.1002/aic.18925

Joshua Chang Qai Wong, Biao Sun, Milinkumar Shah, Ranjeet P. Utikar, Vishnu Pareek

引用次数: 0

COF membranes with fast and selective of water‐transport channels for efficient ethanol dehydration 具有快速和选择性的水运输通道的COF膜，用于有效的乙醇脱水

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-06-04 DOI: 10.1002/aic.18921

Tianpei Yi, Yutong Wang, Fusheng Pan, Jiashuai Zhao, Ziting Zhu, Yuhan Wang, Hongjian Wang, Junyi Zhao, Zhongyi Jiang

{"title":"COF membranes with fast and selective of water‐transport channels for efficient ethanol dehydration","authors":"Tianpei Yi, Yutong Wang, Fusheng Pan, Jiashuai Zhao, Ziting Zhu, Yuhan Wang, Hongjian Wang, Junyi Zhao, Zhongyi Jiang","doi":"10.1002/aic.18921","DOIUrl":"https://doi.org/10.1002/aic.18921","url":null,"abstract":"Laminar‐structured covalent organic framework (COF) membranes hold great promise in molecular separation. Precise nanochannel manipulation of laminar‐structured COF membranes is of critical significance. In this study, COF membranes are engineered by assembling COF‐TbTG nanosheets and sulfobutylether‐β‐cyclodextrin (SCD) into laminar structures. The interlamellar spaces of COFs are regulated to achieve molecular sieving for precise separation; the intrinsic pores of COFs are utilized as fast molecule‐transport channels. The obtained COF membranes exhibit a superior ethanol dehydration performance with a permeation flux of 5.2 kg m−2 h−1 and a separation factor of 1072, which exceeds the performances of state‐of‐the‐art membranes for water/ethanol separation. Moreover, the optimal membranes show a steady permeation flux maintaining around 5.0 kg m−2 h−1 during a 72‐h operation test. This work may provide a new approach to the design of molecular‐sieving COF membranes for precise separation.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"16 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144210935","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

Multiscale exploration of informative latent features for accurate deep eutectic solvents viscosity prediction 为准确预测深共晶溶剂粘度提供信息潜在特征的多尺度探索

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-06-04 DOI: 10.1002/aic.18924

Ting Wu, Chenxi Shi, Jianman Lin, Quanyuan Qiu, Miaoqing Lin, Jiuhang Song, Yinan Hu, Xinyuan Fu, Xiaoqing Lin

{"title":"Multiscale exploration of informative latent features for accurate deep eutectic solvents viscosity prediction","authors":"Ting Wu, Chenxi Shi, Jianman Lin, Quanyuan Qiu, Miaoqing Lin, Jiuhang Song, Yinan Hu, Xinyuan Fu, Xiaoqing Lin","doi":"10.1002/aic.18924","DOIUrl":"https://doi.org/10.1002/aic.18924","url":null,"abstract":"Deep eutectic solvents (DESs) are promising green solvents, yet their high and variable viscosity presents challenges in practical applications. Traditional viscosity measurements are labor-intensive and time-consuming due to numerous influencing factors. This study introduces a novel prediction framework integrating message passing neural networks (MPNN)-graph attention networks (GAT)-multilayer perceptron (MLP). Using a dataset of 5790 DESs, recognizing the essential role of SMILES in predicting DESs viscosity, two stacked GAT layers were utilized to implicitly capture interdependencies among molecular substructures, enabling the extraction of significant features. Given that DESs are typically binary systems, the predicted density is incorporated as an additional input, reducing reliance on experimental data. The MLP combines these extracted features with physical and chemical properties for accurate viscosity prediction. This multiscale, data-driven approach significantly improves prediction performance (R2 = 0.9945, AARD = 2.69%), surpassing conventional methods and advancing green solvent design.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"10 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144229226","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