AIChE Journal最新文献_第9页

Mo-based ionic liquid as dispersive precursor for effective hydrodeoxygenation of stearic acid: Mechanism and kinetics 以莫基离子液体为分散前驱体，实现硬脂酸的有效加氢脱氧：机理和动力学

IF 3.5 3区工程技术

AIChE Journal Pub Date : 2025-04-11 DOI: 10.1002/aic.18859

Leilian Shi, Weihao Chen, Yongde Ma, Hongwei Zhang, Zhenping Cai, Yanning Cao, Kuan Huang, Lilong Jiang

{"title":"Mo-based ionic liquid as dispersive precursor for effective hydrodeoxygenation of stearic acid: Mechanism and kinetics","authors":"Leilian Shi, Weihao Chen, Yongde Ma, Hongwei Zhang, Zhenping Cai, Yanning Cao, Kuan Huang, Lilong Jiang","doi":"10.1002/aic.18859","DOIUrl":"10.1002/aic.18859","url":null,"abstract":"In the present work, the selective hydrodeoxygenation (HDO) performance of stearic acid over in situ MoS2 catalysts produced from various Mo precursors was evaluated. Notably, the in situ MoS2 catalyst generated from [N8881]2MoO4—a Mo-based ionic liquid (IL) with oil-soluble property—achieves up to 99.9% of stearic acid conversion with the HDO product octadecane yield of 97.5% at 300°C, 8 MPa, and 6 h. The activity of [N8881]2MoO4 for catalyzing the selective HDO reaction is much better than commercial precursors like Mo(CO)6 and (NH4)6Mo7O24. The in situ MoS2 catalysts were thoroughly characterized and analyzed to elucidate the experimental results. Moreover, the reaction pathway of stearic acid was proposed according to the product distribution, and the relative kinetic parameters were also calculated and discussed. The results indicate that applying Mo-based IL as the precursor to generate in situ MoS2 catalyst for the selective HDO of biolipids is highly interesting and desired.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"71 8","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143819344","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

Intelligent process development — An in-line Raman-assisted automatic cell culture process development platform 智能过程开发-一个在线拉曼辅助的自动细胞培养过程开发平台

IF 3.5 3区工程技术

AIChE Journal Pub Date : 2025-04-10 DOI: 10.1002/aic.18851

Zhijun Zhang, Zhe Lang, Gong Chen, Mingyue Fang, Hang Zhou, Weichang Zhou

{"title":"Intelligent process development — An in-line Raman-assisted automatic cell culture process development platform","authors":"Zhijun Zhang, Zhe Lang, Gong Chen, Mingyue Fang, Hang Zhou, Weichang Zhou","doi":"10.1002/aic.18851","DOIUrl":"10.1002/aic.18851","url":null,"abstract":"In the competitive biopharmaceutical industry, rapid cell culture process development is crucial for establishing a high-yield bioprocess. Traditional clone selection and process optimization methods are laborious and time-consuming due to multiple iterative rounds. To enhance efficiency, real-time metabolite monitoring and parameter control are vital. We propose an intelligent process development (IPD) platform utilizing Raman spectroscopy-based process analytical technology (PAT) for real-time monitoring and feedback control. The IPD platform automates optimization, incorporating a cell-specific growth rate (μ)-based temperature downshifting strategy and a dynamic feeding approach. Compared to traditional fed-batch (TFB), the IPD strategy increased the clone's titer by 44% (1490 vs. 1034 mg/L). To meet large-scale manufacturing demands, we adapted the Raman-based IPD process into a TFB process with comparable titer, compatible with facilities lacking PAT or automation. This approach was validated with an alternative clone, demonstrating the IPD's ability to enhance productivity through a single automated round, accelerating development.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"71 7","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143813943","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

Insight into self-dissociation of poly(heptazine imide) nanosheets enables boosted CO2 photoreduction 洞察聚（七嗪亚胺）纳米片的自解离使CO2光还原增强

IF 3.5 3区工程技术

AIChE Journal Pub Date : 2025-04-09 DOI: 10.1002/aic.18850

Min Zhou, Xiaoyong Du, Thangaraj Thiruppathiraja, Weilin Li, Zheyang Liu, Xinyan Xiao, Wanjun Wang, Huaming Li, Weidong Shi, Zhifeng Jiang

{"title":"Insight into self-dissociation of poly(heptazine imide) nanosheets enables boosted CO2 photoreduction","authors":"Min Zhou, Xiaoyong Du, Thangaraj Thiruppathiraja, Weilin Li, Zheyang Liu, Xinyan Xiao, Wanjun Wang, Huaming Li, Weidong Shi, Zhifeng Jiang","doi":"10.1002/aic.18850","DOIUrl":"10.1002/aic.18850","url":null,"abstract":"Doping triazine units over poly(heptazine imide) (PHI) nanosheets outperforms higher CO2 reduction efficiency than the individual counterparts. Herein, we report a molten salt-steam thermal-assisted approach of coupling KCl and Mg(OH)2 for designing highly efficient triazine-doped PHI (TPHI) in which the n-type dopant of the triazine unit is produced from the self-dissociation of the heptazine. The developed TPHI demonstrates the fine-tuned hydrophilicity, enhanced electron transportation, and promoted reductive ability, evidenced by contact angle, photoelectrochemical, femtosecond transient absorption, surface photovoltage tests, energy band evaluation, and corresponding calculations. The optimized TPHI sample facilitates CO generation (25.1 μmol h−1 g−1) through the photocatalytic CO2 reduction reaction under solar-simulated light irradiation. Our insight enables a simple strategy for molecular-level electron manipulations in highly effective polymeric photocatalysts using n-dopant self-doping engineering.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"71 7","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143805982","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

Reaction sites optimization mediated by ligand coverage for semi-hydrogenation of different alkynes 以配体覆盖率为媒介优化不同炔烃半氢化反应位点

IF 3.5 3区工程技术

AIChE Journal Pub Date : 2025-04-09 DOI: 10.1002/aic.18752

Zhongzhe Wei, Songtao Huang, Jiayuan Li, Yao Lv, Zihao Yao, Guanglu Dong, Molin Xia, Zhixiang Yang, Ming Jiang, Sheng Dai, Jianguo Wang

{"title":"Reaction sites optimization mediated by ligand coverage for semi-hydrogenation of different alkynes","authors":"Zhongzhe Wei, Songtao Huang, Jiayuan Li, Yao Lv, Zihao Yao, Guanglu Dong, Molin Xia, Zhixiang Yang, Ming Jiang, Sheng Dai, Jianguo Wang","doi":"10.1002/aic.18752","DOIUrl":"10.1002/aic.18752","url":null,"abstract":"Precise regulation of catalysts active sites is the key to optimizing activity. In this work, a strategy for modulating alkyne adsorption sites by modifying the support is proposed. A series of Pd/ZSM-5@PPh3-X with different coverage of triphenylphosphine (PPh3) were synthesized. Pd/ZSM-5@PPh3-X enable efficient semi-hydrogenation of alkynes under mild conditions. Specifically, the catalyst with lower surface ligand coverage (Pd/ZSM-5@PPh3-2) exhibits a preference for the hydrogenation of 2-methyl-3-butyn-2-ol, while the catalyst with higher ligand coverage (Pd/ZSM-5@PPh3-10) favors the conversion of phenylacetylene. Both catalysts maintain an alkene selectivity exceeding 94%. Comprehensive experimental, characterization, and computational analyses revealed that for 2-methyl-3-butyn-2-ol, which adsorbs on the palladium surface, the PPh3 inhibits the strong adsorption of alkynes, thereby preventing catalyst self-poisoning. Conversely, the high PPh3 coverage redirects the adsorption site of phenylacetylene to the support surface, and the enhanced hydrogen spillover accelerates the reaction. This ligand-modulated strategy offers guidance for the rational design of chemoselective catalysts.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"71 7","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143805875","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

Kinetics and mechanistic insights into hydrogenative rearrangement of hydroxymethylfurfural over acid-Nickel catalysts 酸-镍催化剂对羟甲基糠醛氢化重排的动力学和机理研究

IF 3.5 3区工程技术

AIChE Journal Pub Date : 2025-04-08 DOI: 10.1002/aic.18855

Fuzeyu Zhong, Weixiao Sun, Xiaohu Ge, Keng Sang, Huihui Qian, Wenyao Chen, Gang Qian, Yueqiang Cao, Jianrong Zeng, Lina Li, Xuezhi Duan, Xinggui Zhou, Jing Zhang

{"title":"Kinetics and mechanistic insights into hydrogenative rearrangement of hydroxymethylfurfural over acid-Nickel catalysts","authors":"Fuzeyu Zhong, Weixiao Sun, Xiaohu Ge, Keng Sang, Huihui Qian, Wenyao Chen, Gang Qian, Yueqiang Cao, Jianrong Zeng, Lina Li, Xuezhi Duan, Xinggui Zhou, Jing Zhang","doi":"10.1002/aic.18855","DOIUrl":"10.1002/aic.18855","url":null,"abstract":"Catalytic hydrogenative rearrangement of furanic aldehydes is crucial for producing biomass-derived cyclopentanone fine chemicals. However, designing highly selective catalysts remains challenging due to the interplay among tandem hydrogenation, ring-opening, aldol condensation, dehydration, and parallel ring-hydrogenation. Here, we employ a single self-assembly step by depositing phosphonic acids (PAs) on conventional Ni catalysts to introduce tunable interfacial Brønsted acid sites (BAS), resulting in an unprecedented 3-hydroxymethyl-cyclopentanone yield of 95.8% from hydroxymethylfurfural. Kinetic studies reveal a one-order-of-magnitude increase in ring-opening rates—the slow step in hydrogenative rearrangement—after PAs modification, accompanied by a drop in the apparent activation energy from 154.1 to 105.4 kJ mol−1. In contrast, the activation energy for the ring-hydrogenation side reaction remains almost unchanged. Theoretical calculations suggest that BAS synergize with adjacent Ni to lower the C–O cleavage barrier by providing protons to attack the hydroxymethyl oxygen atom, which is the key step to initiate ring-opening.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"71 7","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798191","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 separation of Pd(II) from HCl media by bifunctional thiomorpholinium-based ionic liquids 利用双功能硫代吗啉基离子液体从盐酸介质中高效分离 Pd(II)

IF 3.5 3区工程技术

AIChE Journal Pub Date : 2025-04-08 DOI: 10.1002/aic.18843

Qing Liu, Wanru Wang, Ming Yi, Weichi Chen, Kewen Tang

{"title":"Efficient separation of Pd(II) from HCl media by bifunctional thiomorpholinium-based ionic liquids","authors":"Qing Liu, Wanru Wang, Ming Yi, Weichi Chen, Kewen Tang","doi":"10.1002/aic.18843","DOIUrl":"10.1002/aic.18843","url":null,"abstract":"Bifunctional thiomorpholinium-based ionic liquids were synthesized for the efficient separation of Pd(II) in HCl media. The presence of S atoms in the six-membered ring facilitated the efficient extraction of Pd(II), with a remarkable extraction capacity of 212 mg/g. The extraction mechanism involved anion exchange and coordination. Specifically, PdCl42− preferentially combined with positive N atoms in the thiomorpholinium ring through anion exchange by electrostatic attraction, followed by coordination with the functional sulfur atom to form a stable extracted complex. In addition, the effect of the carbon chain length of the cationic substituent on the extraction performance was systematically investigated to further reveal the structure–activity relationship. More importantly, N,N-dihexyl-thiomorpholinium bis(trifluoromethylsulfonyl)imide exhibited excellent Pd(II) selectivity and reusability, retaining 99.4% extraction efficiency after five extraction-stripping cycles. This study guides the design of ionic liquids-based extractants and offers a solvent-free method for the efficient and environmentally friendly separation of Pd(II).","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"71 7","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798192","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

Constructing grain boundary to stabilize Cu0/Cu+ interfacial sites for efficient CO2 reduction reaction 构建晶界稳定Cu0/Cu+界面位，实现高效CO2还原反应

IF 3.5 3区工程技术

AIChE Journal Pub Date : 2025-04-08 DOI: 10.1002/aic.18829

Saiwu Yang, Yongjun Shen, Xiaoqing Mao, Congcong Li, Zhongliang Liu, Bin Wang, Delin Zhu, Huihui Li, Chunzhong Li

{"title":"Constructing grain boundary to stabilize Cu0/Cu+ interfacial sites for efficient CO2 reduction reaction","authors":"Saiwu Yang, Yongjun Shen, Xiaoqing Mao, Congcong Li, Zhongliang Liu, Bin Wang, Delin Zhu, Huihui Li, Chunzhong Li","doi":"10.1002/aic.18829","DOIUrl":"10.1002/aic.18829","url":null,"abstract":"The electrochemical CO2 reduction reaction (CO2RR) to multi-carbon (C2+) products derived by renewable energy represents a promising strategy for mitigating CO2 emissions. One of the intensively studied strategies is to stabilize Cu+ species on catalysts to facilitate the adsorption of *CO intermediates. However, the reductive environment during CO2RR renders the Cu+ species on the catalyst surface susceptible to reduction to Cu0. Here, we developed a GB-Cu2O-Cu catalyst featuring enriched grain boundaries via an in situ electrochemical reduction process to stabilize Cu+ species, resulting in an abundance of Cu0/Cu+ interfacial active sites. In situ x-ray diffraction (XRD) and Raman spectroscopy further revealed that the presence of grain boundaries effectively shields the Cu+ species on the catalyst surface from undergoing reduction during CO2RR, facilitating the concentration of *CO intermediates and thus promoting C-C dimerization to C2+ products.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"71 7","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143797849","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

Flow electrooxidation of chiral alcohols with high enantioselectivity via integrated metal-organic frameworks and aminoxyl radicals 具有高对映选择性的手性醇通过集成金属有机框架和氨基自由基的流动电氧化

IF 3.5 3区工程技术

AIChE Journal Pub Date : 2025-04-04 DOI: 10.1002/aic.18847

Linhan Ren, Jiayuan Li, Suiqin Li, Kai Li, Yuhang Wang, Jieyu Wang, Ying Chen, Jiahui He, Xing Zhong, Jianguo Wang

{"title":"Flow electrooxidation of chiral alcohols with high enantioselectivity via integrated metal-organic frameworks and aminoxyl radicals","authors":"Linhan Ren, Jiayuan Li, Suiqin Li, Kai Li, Yuhang Wang, Jieyu Wang, Ying Chen, Jiahui He, Xing Zhong, Jianguo Wang","doi":"10.1002/aic.18847","DOIUrl":"10.1002/aic.18847","url":null,"abstract":"Chiral compounds play a pivotal role in pharmaceutical chemistry, and the oxidation of chiral alcohols to corresponding carboxylic acids is a crucial step. However, the enantioselectivity is susceptible to degradation due to sensitivity to enol isomerization and racemization. In this study, Ru/S-Ni-MOFs electrocatalysts with high specific surface area were synthesized. After undergoing electrochemical reconfiguration, which combined with 4-acetamido-TEMPO (ACT) as co-catalysts to achieve efficient oxidation of chiral alcohols, with enantioselectivity reaching 99% at industrial-grade current density of 500 mA/cm2. Additionally, 100 g of chiral acid were successfully synthesized with a yield of 98% and an enantioselectivity of 99% in the large-scale electrolyzer. In situ experiments and theoretical calculations demonstrated that S doping shifts the center of d-band toward the Fermi level, which stabilizes ACTH and inhibits the dissociation of OH, thereby enhancing electrocatalytic activity. This study presents an efficient synergistic electrocatalytic strategy for practical large-scale electrosynthesis of chiral carboxylic acid compounds.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"71 7","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143782428","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

Optimal reactive operation of general topology supply chain and manufacturing networks under disruptions 中断下一般拓扑供应链和制造网络的最优无功运行

IF 3.5 3区工程技术

AIChE Journal Pub Date : 2025-04-03 DOI: 10.1002/aic.18833

Daniel Ovalle, Joshua L. Pulsipher, Yixin Ye, Kyle Harshbarger, Scott Bury, Carl D. Laird, Ignacio E. Grossmann

{"title":"Optimal reactive operation of general topology supply chain and manufacturing networks under disruptions","authors":"Daniel Ovalle, Joshua L. Pulsipher, Yixin Ye, Kyle Harshbarger, Scott Bury, Carl D. Laird, Ignacio E. Grossmann","doi":"10.1002/aic.18833","DOIUrl":"10.1002/aic.18833","url":null,"abstract":"Supply and manufacturing networks in the chemical industry involve diverse processing steps across different locations, rendering their operation vulnerable to disruptions from unplanned events. Optimal responses should consider factors such as product allocation, delayed shipments, and price renegotiation, among other factors. In such context, we propose a multiperiod mixed-integer linear programming model that integrates production, scheduling, shipping, and order management to minimize the financial impact of such disruptions. The model accommodates arbitrary supply chain topologies and incorporates various disruption scenarios, offering adaptability to real-world complexities. A case study from the chemical industry demonstrates the scalability of the model under finer time discretization and explores the influence of disruption types and order management costs on optimal schedules. This approach provides a tractable, adaptable framework for developing responsive operational plans in supply chain and manufacturing networks under uncertainty.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"71 7","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/aic.18833","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143782438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A differentiable deep learning approach for inverse optimization of hopper flows in particulate manufacturing 颗粒制造中料斗流逆优化的可微深度学习方法

IF 3.5 3区工程技术

AIChE Journal Pub Date : 2025-04-03 DOI: 10.1002/aic.18825

Chengbo Liu, Tingting Liu, Yu Jiang, Yuanye Zhou, Yanjiao Li, Kun Hong, Xizhong Chen

引用次数: 0