AIChE Journal最新文献_第5页

Built‐in electric field and interfacial orbital coupling of Z‐scheme CPDs / Bi 3 O 4 Cl for boosted CO 2 photoreduction Z - scheme CPDs / bi3o4cl促进co2光还原的内建电场和界面轨道耦合

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-04-09 DOI: 10.1002/aic.70386

Ying Hu, Jintao Dong, Xingwang Yan, Wenhui Lin, Gaopeng Liu, Bin Wang, Yixuan Gao, Huaming Li, Paul K. Chu, Jiexiang Xia

{"title":"Built‐in electric field and interfacial orbital coupling of Z‐scheme CPDs / Bi 3 O 4 Cl for boosted CO 2 photoreduction","authors":"Ying Hu, Jintao Dong, Xingwang Yan, Wenhui Lin, Gaopeng Liu, Bin Wang, Yixuan Gao, Huaming Li, Paul K. Chu, Jiexiang Xia","doi":"10.1002/aic.70386","DOIUrl":"https://doi.org/10.1002/aic.70386","url":null,"abstract":"Photocatalytic CO 2 reduction faces many challenges including rapid charge recombination and inefficient charge transfer. We construct a 0D/2D Z ‐ scheme heterojunction of carbonized polymer dots and Bi 3 O 4 Cl nanosheets (CPDs/Bi 3 O 4 Cl). This structure enables efficient carrier separation while maintaining the strong redox potentials of both components. Without sacrificial agents, the 7 wt% CPDs/Bi 3 O 4 Cl composite achieves a CO production rate of 11.17 μmol g −1 ·h −1 , 2.9 times that of pure Bi 3 O 4 Cl. DFT calculations show interfacial charge redistribution generates an internal electric field, directing charge transfer, suppressing recombination, and enhancing CO 2 adsorption. The elongated C–O bonds and robust C 2 p ‐Bi 6 p orbital interactions directly evidence efficient CO 2 activation at the interface. These effects lower the energy barrier for *COOH formation from 1.32 to 0.78 eV, highlighting the role of carbon dots and interfacial orbital coupling in Z‐scheme photocatalysts for enhanced adsorption‐activation.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"21 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147655987","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

Process intensification for sustainable pyridine/water separation: Thermodynamic insights and energy-efficient design 可持续吡啶/水分离的过程强化：热力学见解和节能设计

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-04-09 DOI: 10.1002/aic.70399

Chao Pan, Jiahui Zhang, Pan Xu, Guoxuan Li

引用次数: 0

Efficient closed-loop recovery and regeneration of spent LiCoO2 cathodes using pyruvic acid-based deep eutectic solvents 利用丙酮酸基深共晶溶剂对废LiCoO2阴极进行高效闭环回收和再生

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-04-08 DOI: 10.1002/aic.70394

Qian Liu, Xinze Yang, Yuxin Qiu, Xiangyi Kong, Hongye Cheng, Zhen Song, Zhiwen Qi

{"title":"Efficient closed-loop recovery and regeneration of spent LiCoO2 cathodes using pyruvic acid-based deep eutectic solvents","authors":"Qian Liu, Xinze Yang, Yuxin Qiu, Xiangyi Kong, Hongye Cheng, Zhen Song, Zhiwen Qi","doi":"10.1002/aic.70394","DOIUrl":"https://doi.org/10.1002/aic.70394","url":null,"abstract":"The recovery of cathode materials from spent lithium-ion batteries (LIBs) is highly beneficial for environmental protection and resource circularity. Here, an efficient closed-loop process is proposed for recycling spent LiCoO2. A novel deep eutectic solvent (DES) composed of betaine hydrochloride and pyruvic acid is proposed to achieve rapid and efficient leaching of Li and Co under mild conditions. Leaching kinetics of the DES is analyzed using the shrinking core model, while the leaching mechanism is systematically investigated by integrating experimental and theoretical approaches. Co and Li are recovered from the leachate through precipitation, and the leaching performance of the regenerated DES is also examined. The electrochemical performance of the regenerated LiCoO2 is tested and compared with commercial LiCoO2. Finally, the economic and environmental analysis of the closed-loop recovery process is studied to evaluate its application prospects. This work provides valuable guidance for the comprehensive recycling and utilization of spent LIBs.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"133 1 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147641686","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

Hydration structure and ion transport in nitrate solutions for controlling water impurities in molten salts 控制熔盐中水杂质的硝酸盐溶液中的水化结构和离子传输

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-04-08 DOI: 10.1002/aic.70379

Qingqing Lin, Yanxia Xu, Doudou Yao, Weijun Song, Xiaobo Yang, Ze Sun

{"title":"Hydration structure and ion transport in nitrate solutions for controlling water impurities in molten salts","authors":"Qingqing Lin, Yanxia Xu, Doudou Yao, Weijun Song, Xiaobo Yang, Ze Sun","doi":"10.1002/aic.70379","DOIUrl":"https://doi.org/10.1002/aic.70379","url":null,"abstract":"Molten salts are crucial in heat transfer and storage when concentrating solar power; however, water impurities compromise thermal stability and accelerate corrosion. This study investigated the hydration structures and transport properties of KNO3, NaNO3, and their mixed salt (36:64) in aqueous solutions at 313.15 K by combining molecular-dynamics simulations with single-droplet drying experiments. Radial distribution functions, coordination numbers, ionic hydration radii, diffusion coefficients, and activation energies were analyzed across varying concentrations. The results indicate that above 5.0 mol/kg H2O, intensified ion competition disrupts the hydration shell; the Na–Ow and K–Ow coordination numbers decrease from 5.576 to 4.628 and 6.428 to 5.617, respectively; the diffusion coefficients decrease by >50%, restricting ion mobility and destabilizing the local structure; and the hydration competition index (ratio of Na–Ow to K–Ow coordination numbers) decreases from 0.87 to 0.78. These findings provide quantitative insights for reducing water impurities and improving molten-salt formulations.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"5 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147642059","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

Machine learning-based optimal control for colloidal self-assembly 基于机器学习的胶体自组装最优控制

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-04-08 DOI: 10.1002/aic.70389

Andres Lizano-Villalobos, Fangyuan Ma, Wentao Tang, Wei Sun, Xun Tang

引用次数: 0

A descriptor-driven predictive model for bifunctional amine promoters in CO2 capture: Mechanism and validation 二氧化碳捕获中双功能胺启动子的描述符驱动预测模型：机制和验证

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-04-08 DOI: 10.1002/aic.70375

Fangzheng Deng, Hao Ling, Cheng Yu, Mengying Xu, Tingting Zhu, Yi Luo, Hong Liu, Yunlei Zhao, Zhigang Shen, Dapeng Cao, Xiayi Hu

{"title":"A descriptor-driven predictive model for bifunctional amine promoters in CO2 capture: Mechanism and validation","authors":"Fangzheng Deng, Hao Ling, Cheng Yu, Mengying Xu, Tingting Zhu, Yi Luo, Hong Liu, Yunlei Zhao, Zhigang Shen, Dapeng Cao, Xiayi Hu","doi":"10.1002/aic.70375","DOIUrl":"https://doi.org/10.1002/aic.70375","url":null,"abstract":"To overcome the energy penalty of monoethanolamine (MEA) regeneration, a rational strategy for designing trace bifunctional promoters is needed. Here, we introduce a simple yet predictive performance-gain function (PGF) model, based on three molecular descriptors (proton affinity, hydration free energy, and polarizability). With N-ethylmorpholine (NEM) as a primary example, adding only 3 wt% to 3 M MEA enhances the CO2 desorption rate by 48.3% and reduces regeneration energy to 3.24 GJ/t CO2 while preserving absorption. 13C NMR and DFT calculations reveal NEM's dual-function mechanism: facilitating proton transfer in carbamate breakdown and enriching at the gas–liquid interface to enhance mass transfer. Crucially, the PGF model successfully predicted the performance ranking of five additional amine promoters, identifying 1-ethylpiperazine (1EPRZ) as more effective than NEM (R2 = 0.936). This study provides a descriptor-based framework for the rapid screening and rational design of high-performance additives for energy-efficient amine-based CO2 capture.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"32 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147641687","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

Gradient electric fields at solid–liquid interfaces via partitioned Cu species for selective dehydrochlorination 梯度电场在固液界面上的选择性脱氢氯化作用

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-04-07 DOI: 10.1002/aic.70383

Yuxue Yue, Zilong Zhang, Jingyi Yan, Saisai Wang, Liyong Yang, Chunxiao Jin, Xiaoke Jin, Haifeng Zhang, Bolin Wang

{"title":"Gradient electric fields at solid–liquid interfaces via partitioned Cu species for selective dehydrochlorination","authors":"Yuxue Yue, Zilong Zhang, Jingyi Yan, Saisai Wang, Liyong Yang, Chunxiao Jin, Xiaoke Jin, Haifeng Zhang, Bolin Wang","doi":"10.1002/aic.70383","DOIUrl":"https://doi.org/10.1002/aic.70383","url":null,"abstract":"Integrating segregated unit operations into a single “catalyst-as-a-reactor” architecture represents a pivotal frontier in process intensification. Herein, a spatially resolved interface is engineered by strategically partitioning copper species between a carbon support and an ionic liquid (IL) overlayer. Within this design, carbon-anchored Cu functions as an electron reservoir that drives charge toward solvated active sites, inducing a robust interfacial gradient electric field. This programmable electronic environment facilitates bidirectional electron transfer, thereby reducing the C–Cl activation barrier by 0.26 eV. Consequently, the spatially optimized 3Cu/C@2Cu-10IL catalyst delivers near-complete 1,1,2-trichloroethane conversion (>99%) with >95% vinylidene chloride selectivity. This high performance translates to a space–time yield of 170.21 gVDC·gmetal−1·h−1 and a projected ~29.5% cost reduction via the elimination of saline wastewater. This work establishes spatial active-site control as a versatile paradigm for streamlining complex chemical transformations.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"141 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147641691","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

Superhydrophobic porous polymer-supported atomic copper for boosting ammonia capture under real-world conditions 超疏水多孔聚合物支持的原子铜在现实世界条件下促进氨捕获

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-04-06 DOI: 10.1002/aic.70395

Wentao Zhang, Caihua Chen, Chi Ma, Shouchao Zhong, Yong Zheng, He Cheng, Fujian Liu, Lilong Jiang

{"title":"Superhydrophobic porous polymer-supported atomic copper for boosting ammonia capture under real-world conditions","authors":"Wentao Zhang, Caihua Chen, Chi Ma, Shouchao Zhong, Yong Zheng, He Cheng, Fujian Liu, Lilong Jiang","doi":"10.1002/aic.70395","DOIUrl":"https://doi.org/10.1002/aic.70395","url":null,"abstract":"Metal sites enable efficient and precise ammonia (NH3) capture, but their leaching and mineralization occur upon long-term exposure to water vapor and corrosive impurities. Here we report a new Cu-carboxyl center constructed by anchoring atomic copper on carboxyl-modified, superhydrophobic nanoporous polydivinylbenzene (N-PDVB-COOH). The resulting xCu@N-PDVB-COOH shows high NH3 capacities, improved NH3/N2/H2 IAST selectivities, superior separation precision, and robust recyclability. Under extreme conditions with water vapor, SO2, and NOx, it maintains performance without structural damage, Cu leaching, or mineralization, outperforming literature-reported sorbents. The mechanism stems from the tunable Cu-carboxyl center on superhydrophobic N-PDVB-COOH, which facilitates specific NH3 recognition and reversible adsorption while excluding H2O and other interferents. This dual-function design blocks competitors from the Cu-carboxyl center, allowing efficient NH3 capture and concurrent resistance to deactivation. Importantly, this principle extends to other atomic metals (e.g., Ni, Co) on N-PDVB-COOH, establishing a universal platform for water- and corrosion-resistant sorbents for versatile gas separations.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"143 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147626077","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

Engineering substrate reduction and product oxidation in photocatalytic NADH synthesis via interface–pore co-confinement 通过界面孔共约束光催化合成NADH的工程底物还原和产物氧化

IF 4 3区工程技术

AIChE Journal Pub Date : 2026-04-05 Epub Date: 2026-01-29 DOI: 10.1002/aic.70263

Shihao Li, Jiafu Shi, Yu Chen, Hong Wu, Zhongyi Jiang

{"title":"Engineering substrate reduction and product oxidation in photocatalytic NADH synthesis via interface–pore co-confinement","authors":"Shihao Li, Jiafu Shi, Yu Chen, Hong Wu, Zhongyi Jiang","doi":"10.1002/aic.70263","DOIUrl":"https://doi.org/10.1002/aic.70263","url":null,"abstract":"In photocatalytic hydrogenation, non-directional transfer of electrons and indiscriminate oxidation of products by holes often result in severe electron–hole recombination and unintended product degradation, limiting overall efficiency. Herein, we engineer both the substrate reduction and product oxidation pathways through an interface–pore co-confinement strategy, exemplified by a rationally designed covalent organic framework (COF)-bridged core–shell photocatalyst (U@TpBpy-Rh) and photocatalytic NADH synthesis. The resultant U@TpBpy-Rh functions through dual mechanisms: (1) the confined S-scheme heterojunction interface facilitates directional electron transfer from MOF core to Rh sites in COF, significantly enhancing the photocatalytic NADH synthesis with productivity of 2.82 mmol g−1 h−1; (2) the confined pores of the COF shell restrict NADH diffusion toward highly oxidative MOF regions, reducing its oxidation degradation by 63% compared to U@TpBpy. This work demonstrates simultaneous spatiotemporal management of competitive photocatalytic reduction and oxidation pathways and will offer a general strategy for optimizing other redox-coupled reactions.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"72 5","pages":""},"PeriodicalIF":4.0,"publicationDate":"2026-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147684089","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

Nanoconfinement-enabled selective trapping of trace propane in a shaped Al-MOF for ultra-pure fluoromethane 超纯氟甲烷在异形Al-MOF中选择性捕集微量丙烷的研究

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-04-05 DOI: 10.1002/aic.70381

Jinze Yao, Siyao Zhao, Dongyu Chen, Wenxuan Lin, Xiaofei Chen, Zehan Li, Liangxin Ding, Zhong Li, Qibin Xia

{"title":"Nanoconfinement-enabled selective trapping of trace propane in a shaped Al-MOF for ultra-pure fluoromethane","authors":"Jinze Yao, Siyao Zhao, Dongyu Chen, Wenxuan Lin, Xiaofei Chen, Zehan Li, Liangxin Ding, Zhong Li, Qibin Xia","doi":"10.1002/aic.70381","DOIUrl":"https://doi.org/10.1002/aic.70381","url":null,"abstract":"Ultrahigh-purity fluoromethane (CH3F) is essential for sustainable semiconductor manufacturing, yet its deep purification poses a significant challenge due to trace amounts of propane (C3H8). Herein, a shaped Al-based MOF, Al-Fum, was engineered as high-performance adsorbents to address this solution. The adsorbent features a tailored pore aperture (~5.6 × 6.0 Å) that provides an optimal nanoconfined environment for C3H8 molecular discrimination. Owing to the higher polarizability of C3H8, a pronounced confinement-enhanced induction interaction is selectively activated within the weakly polar channels, leading to exceptional separation selectivity. The C3H8 concentration is thereby reduced from 100 ppm to the part-per-trillion level in the CH3F stream. Robust Al-Fum pellets were produced via a scalable shaping method that retains the intrinsic adsorption performance. Their stability and regenerability are confirmed by dynamic breakthrough tests. This work elucidates a polarizability-driven nanoconfinement mechanism and delivers a readily applicable adsorbent for next-generation electronic-gas purification.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"4 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147641690","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