AIChE Journal最新文献_第3页

Engineering single-atom equivalent trapping site for Photothermal CO2 selective hydrogenation 光热CO2选择性氢化的工程单原子等效捕获点

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-05-23 DOI: 10.1002/aic.18910

Fan Fang, Yutong Wan, Fang Xu, Luyu Shi, Ruixue Sun, Lijing Xiang, Kun Chang

{"title":"Engineering single-atom equivalent trapping site for Photothermal CO2 selective hydrogenation","authors":"Fan Fang, Yutong Wan, Fang Xu, Luyu Shi, Ruixue Sun, Lijing Xiang, Kun Chang","doi":"10.1002/aic.18910","DOIUrl":"https://doi.org/10.1002/aic.18910","url":null,"abstract":"Photothermal CO2 hydrogenation into value-added products represents an optimal strategy for simultaneously addressing energy and environmental crises. However, achieving high production with high selectivity for target products remains a grand challenge. Herein, we constructed an S-scheme ZnO/CeO2 decorated by a bifunctional Pt cocatalyst. This photothermal catalyst exhibits both remarkable yield and selectivity of the CO product. The bifunctional Pt nanoparticles can effectively enhance the separation and utilization of charge carriers, facilitating this reaction. Notably, characterization techniques, in situ experiments, and theoretical simulations have demonstrated that the generation of active surface lattice oxygen and oxygen vacancies leads to a trapping effect on carbon atoms and oxygen atoms in CO, thereby playing a crucial role in modulating CO selectivity comparable to the impact of single-atom metals. Integrating Pt nanoparticles to promote reaction and CO-sensitive supports for improved CO selectivity offers novel insights into designing photothermal catalysts for efficient CO2 hydrogenation.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"44 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144122811","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

Innovative packed-bed ion-distillation for direct lithium extraction 创新的填料床离子蒸馏直接提取锂

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-05-23 DOI: 10.1002/aic.18905

Songhui Wang, Tianle Gu, Guangzhong Cao, Xiao Liu, Weixiang Shan, Zhaoming Liu, Rongqiang Fu, Chenxiao Jiang, Tongwen Xu

{"title":"Innovative packed-bed ion-distillation for direct lithium extraction","authors":"Songhui Wang, Tianle Gu, Guangzhong Cao, Xiao Liu, Weixiang Shan, Zhaoming Liu, Rongqiang Fu, Chenxiao Jiang, Tongwen Xu","doi":"10.1002/aic.18905","DOIUrl":"https://doi.org/10.1002/aic.18905","url":null,"abstract":"Ion-distillation, as an innovative electro-membrane approach, efficiently separates various ions, revolutionizing the lithium mining industry. However, the suboptimal performance of ion perm-selective membranes and the low concentration of lithium necessitate additional separation stages, thereby increasing energy consumption in industrial applications. To address this, we propose a novel packed-bed ion-distillation system that integrates ion-distillation with electro-deionization by packing ion-exchange resin within the ion-distillation chambers. This strategy ensures precise lithium separation and reduces the electric resistance within the distillation chamber. Results show that when processing lake brine with a magnesium–lithium ratio of 1000, the permselectivity of Li+/Mg2+ reaches an impressive 8,124,599, with product purity exceeding 99.9%. The internal resistance of the packed-bed system is reduced by 41% compared to a resin-free ion-distillation system. This technology holds significant promise for the direct and efficient extraction of lithium from lake brines, enhancing the sustainability and economic viability of the lithium mining industry.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"21 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144122812","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

Model‐based fault diagnosis in closed‐loop safety‐critical chemical reactors: An experimental study 基于模型的闭环安全临界化学反应器故障诊断：一项实验研究

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-05-22 DOI: 10.1002/aic.18906

Pu Du, Benjamin Wilhite, Costas Kravaris

引用次数: 0

Balancing acetylene and hydrogen chloride adsorption through gold-copper-nickel synergistic interactions for enhanced acetylene hydrochlorination 通过金-铜-镍协同作用平衡乙炔和氯化氢的吸附，增强乙炔的加氢氯化作用

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-05-21 DOI: 10.1002/aic.18904

Xinyuan Wang, Dingqiang Feng, Linfeng Li, Tiantong Zhang, Bao Wang, Jian Li, Yunsheng Dai, Wei Li, Jinli Zhang, Jiangjiexing Wu

{"title":"Balancing acetylene and hydrogen chloride adsorption through gold-copper-nickel synergistic interactions for enhanced acetylene hydrochlorination","authors":"Xinyuan Wang, Dingqiang Feng, Linfeng Li, Tiantong Zhang, Bao Wang, Jian Li, Yunsheng Dai, Wei Li, Jinli Zhang, Jiangjiexing Wu","doi":"10.1002/aic.18904","DOIUrl":"https://doi.org/10.1002/aic.18904","url":null,"abstract":"Metal promoters enhancing Au catalysts present a promising alternative to toxic mercury chloride. However, achieving an optimal balance between the synergistic benefits of metal promoters and challenges like coke formation remains a significant hurdle. Herein, a low-loading Au catalyst (0.15 wt.%), synergistically modulated by copper and nickel (designated as AuCu16Ni/AC), was developed. The AuCu16Ni/AC catalyst exhibits a dynamic restructuring mechanism and synergistic effects, enabling balanced adsorption of acetylene (C2H2) and hydrogen chloride. This enhances catalytic efficiency, effectively suppresses coke formation, and significantly improves catalyst stability. As a result, the AuCu16Ni/AC catalyst achieves outstanding performance, with a high C2H2 conversion rate of 93.03% under C2H2 gas hourly space velocity conditions of 540 h−1 and a remarkably low deactivation rate of 0.12% h−1. This work provides a low-loading, highly stable catalyst with promising industrial applicability while offering novel insights and a theoretical basis for the design of multi-component catalysts.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"97 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144104159","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

Comparing exergy and heat pump work in distillation systems 在蒸馏系统中比较火用和热泵的工作

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-05-21 DOI: 10.1002/aic.18895

Akash Sanjay Nogaja, Mohit Tawarmalani, Rakesh Agrawal

引用次数: 0

Ni-based catalysts for the hydrogenation of HMF to BHMF at industrial-scale concentrations in water ni基催化剂在工业规模下将水中HMF加氢为BHMF

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-05-21 DOI: 10.1002/aic.18911

Renjie Huang, Zihao Yang, Pengjiang Liu, Weidong Li, Zhendong Yu, Zheng Li, Lu Lin, Yunchao Feng, Xianhai Zeng

引用次数: 0

Quantum mechanical nanoreactor simulations reveal PVC pyrolysis pathways 量子力学纳米反应器模拟揭示PVC热解途径

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-05-21 DOI: 10.1002/aic.18913

Tingyu Lei, Bo Peng, Xingchen Liu, Wenping Guo, Liang Zou, Qi Ou, Mingfeng Li, Xiaodong Wen

{"title":"Quantum mechanical nanoreactor simulations reveal PVC pyrolysis pathways","authors":"Tingyu Lei, Bo Peng, Xingchen Liu, Wenping Guo, Liang Zou, Qi Ou, Mingfeng Li, Xiaodong Wen","doi":"10.1002/aic.18913","DOIUrl":"https://doi.org/10.1002/aic.18913","url":null,"abstract":"Pyrolysis, which converts macromolecules into smaller fragments in the absence of oxygen, offers a promising platform for synthetic polymer recycling. This sophisticated chemical network encompasses hundreds of reactions, yielding hundreds of molecular species and radicals as the process unfolds. We investigate the pyrolysis mechanism of polyvinyl chloride (PVC) using nanoreactor molecular dynamics simulations in tandem with the state-of-the-art semi-empirical method GFN-xTB. Our simulations reveal a complex reaction network, highlighting two competitive, energetically favorable chlorine elimination pathways: 1,2-elimination and Cl· radical-initiated hydrogen abstraction, challenging the conventional Cl/H· radical coupling mechanism. HCl elimination yields conjugated olefins, subsequently aromatizing, while hydrogen abstraction forms hydrocarbon radicals promoting cyclization. Nanoreactor simulations, driven by quantum mechanical methods of high transferability, enable the autonomous and unbiased discovery of reaction mechanisms of complex chemical processes, transcending the limitations of traditional methods that rely on pathways deduced from chemical intuition.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"45 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144104160","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

Efficient CO2/CH4 separation achieved by metal–organic framework crystal-glass composite membranes 金属-有机框架晶体-玻璃复合膜实现CO2/CH4高效分离

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-05-21 DOI: 10.1002/aic.18883

Xinrui Liu, De Ao, Mao Ye, Zhi Wang, Zhihua Qiao, Song Zhao

{"title":"Efficient CO2/CH4 separation achieved by metal–organic framework crystal-glass composite membranes","authors":"Xinrui Liu, De Ao, Mao Ye, Zhi Wang, Zhihua Qiao, Song Zhao","doi":"10.1002/aic.18883","DOIUrl":"https://doi.org/10.1002/aic.18883","url":null,"abstract":"Metal–organic framework (MOF) glass holds great promise for gas separation applications. However, the inherent low porosity of MOF glass poses a considerable challenge in improving membrane permeability. In this work, a self-supporting MOF crystal-glass composite (CGC) membrane was synthesized via an innovative blending and melting approach, in which ZIF-62 powder was converted into an amorphous glassy phase and ZIF-9 powder was partially flux-melted, effectively preventing the reorganization of Zn─N bonds within ZIF-62. Consequently, the composite component structure significantly enhances the porosity and permeability of the MOF glass membrane. Furthermore, the incorporation of cobalt into the membrane matrix has notably enhanced its adsorption affinity for CO2, thereby boosting CO2/CH4 selectivity. The resultant ag[(ZIF-9)0.2/(ZIF-62)0.8] membrane has demonstrated exceptional CO2 permeability of 20,324 barrer and superior CO2/CH4 selectivity, both surpassing the 2018 upper bound. Thus, the innovative strategy for the design of MOF CGC membranes offers effective solutions to the challenges inherent in gas separation processes.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"41 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144104337","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

Synergy of Ru single atoms and nanoparticles on Br-tethered covalent organic framework boosting reductive amination 钌单原子和纳米粒子在br系链共价有机骨架上的协同作用促进还原胺化

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-05-20 DOI: 10.1002/aic.18912

Qizhi Hu, Ying Wen, Biao Meng, Mingdong Sun, Xiaoling Liu, Yu Zhou, Xiao Chi, Xiaojiang Yu, Jun Wang

{"title":"Synergy of Ru single atoms and nanoparticles on Br-tethered covalent organic framework boosting reductive amination","authors":"Qizhi Hu, Ying Wen, Biao Meng, Mingdong Sun, Xiaoling Liu, Yu Zhou, Xiao Chi, Xiaojiang Yu, Jun Wang","doi":"10.1002/aic.18912","DOIUrl":"https://doi.org/10.1002/aic.18912","url":null,"abstract":"Maximizing the atom efficiency of noble metal species is crucial for their application, but directly reducing the size down to single atoms (SAs) is limited when facing complex situations requiring the simultaneous adsorption and activation of multiple reactants. Herein, Schiff base condensation of 1,3,5-tris(4-aminophenyl)benzene and 2,5-dibromoterephthalaldehyde offered a Br-tethered covalent organic framework (COF) TAPB-DBDH for the co-loading of ruthenium (Ru) SAs and nanoparticles (NPs). We demonstrated a triadic synergism of Ru SAs (Ru–C3N1), Ru NPs, and the TAPB-DBDH framework in reductive aminations of carbonyl compounds with ammonia and hydrogen to primary amines, showing the high yield, large turnover number, and turnover frequency, stable recycling, and broad substrate compatibility. A systematic theoretic and experimental study revealed that the cooperation of Ru SAs and the TAPB-DBDH framework provided a strong affinity toward the carbonyl compound and imine intermediate to promote their conversion, while the co-existed Ru NPs lowered the energy barrier of H2 cleavage.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"32 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144097628","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

Enhancing the regioselectivity and activity of sucrose phosphorylase by combinational semi-rational strategies 利用组合半理性策略提高蔗糖磷酸化酶的区域选择性和活性

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-05-20 DOI: 10.1002/aic.18908

Linjiang Zhu, Jingyi Fang, Kaiqiang Liu, Tian Gan, Changxin Lu, Jiacheng Feng, Hanchi Chen, Xiaolong Chen

{"title":"Enhancing the regioselectivity and activity of sucrose phosphorylase by combinational semi-rational strategies","authors":"Linjiang Zhu, Jingyi Fang, Kaiqiang Liu, Tian Gan, Changxin Lu, Jiacheng Feng, Hanchi Chen, Xiaolong Chen","doi":"10.1002/aic.18908","DOIUrl":"https://doi.org/10.1002/aic.18908","url":null,"abstract":"Sucrose phosphorylase (SPase) is widely used for the glycosylation of polyhydroxy compounds, while low regioselectivity will limit its application. In this study, the regioselectivity of wild-type SPase from Limosilactobacillus reuteri for the synthesis of 2-O-α-d-glucosylglycerol (2-αGG) (84.7% ± 0.5%) was enhanced by combinational semi-rational strategies. A key residue R137 was identified by sequence alignment analysis of non-conserved residues in the catalytic pocket, molecular docking analysis, and alanine scanning at the key flexible loops. The regioselectivity of R137M increased to 95.4% ± 0.4%. Iteration mutation, loop engineering, and triple code saturation mutagenesis were used to further increase the 2-OH selectivity (>97%) and double mutant R137M/L337T (98.0% ± 0.5%) was the best one. Whole-cell transformation with R137M/L337T produced a higher yield of 2-αGG with the increased final 2-OH selectivity (>99%); besides, the amount of byproduct glucose greatly declined, meaning a decreased hydrolysis activity. Hence, the combinational semi-rational mutagenesis methods are effective for improving the regioselectivity of SPase.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"59 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144104336","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