AIChE Journal最新文献_第10页

Promoting the regeneration of polyethylenimine‐impregnated sorbents through in situ vapor purge for direct air capture 促进再生聚乙烯亚胺浸渍吸附剂通过原位蒸汽吹扫直接空气捕获

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-08-08 DOI: 10.1002/aic.70571

Yongqiang Wang, Qiuran Yang, Paul Webley, Guoping Hu, Gang Kevin Li

{"title":"Promoting the regeneration of polyethylenimine‐impregnated sorbents through in situ vapor purge for direct air capture","authors":"Yongqiang Wang, Qiuran Yang, Paul Webley, Guoping Hu, Gang Kevin Li","doi":"10.1002/aic.70571","DOIUrl":"https://doi.org/10.1002/aic.70571","url":null,"abstract":"Amine‐impregnated sorbents (AIS) have been extensively investigated for direct air capture (DAC) due to their high adsorption capacity and selectivity toward atmospheric CO 2 . However, there has been limited attention given to efficiently recovering the adsorbed CO 2 from AIS, leading to the regeneration remaining energy‐intensive in DAC systems. Here, we employ a double‐layered adsorption configuration, in situ producing vapors using water synergistically harvested from the air to effectively regenerate polyethylenimine‐impregnated sorbents. This vapor‐promoted regeneration provided a substantial driving force for CO 2 desorption at ambient pressure and 105°C, producing water and 99% purity CO 2 with a high working capacity of 1.61 mmol/g. Only 8.9 MJ/ thermal energy was consumed for sorbent regeneration without the use of vacuum conditions and external purge. This in situ vapor purge enables the recovery of over 95% of the CO 2 adsorbed on AIS, paving the way for the practical application of low‐cost chemisorbents in DAC.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"156 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148688090","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

A long‐term multiscale model for acetylene hydrochlorination: Coupling intra‐particle evolution with reactor performance 乙炔加氢氯化的长期多尺度模型：粒子内演化与反应器性能的耦合

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-08-07 DOI: 10.1002/aic.70585

Tianxiao Huang, Binhang Yan

{"title":"A long‐term multiscale model for acetylene hydrochlorination: Coupling intra‐particle evolution with reactor performance","authors":"Tianxiao Huang, Binhang Yan","doi":"10.1002/aic.70585","DOIUrl":"https://doi.org/10.1002/aic.70585","url":null,"abstract":"The long‐term economic viability of mercury‐free catalysts for acetylene hydrochlorination requires precise thermal management to prevent the deactivation of sensitive active sites. We developed a validated, spatiotemporal multiscale model that integrates intrinsic kinetics with intra‐particle transfer and reactor‐scale transport, successfully predicting catalytic performance and deactivation trends from laboratory to pilot scale. Its modular architecture was designed to incorporate detailed sub‐models, enabling explicit resolution of non‐spherical catalyst geometries and intra‐particle non‐uniform deactivation of active sites. The analysis shows that hotspot intensity arises mainly from a mismatch between internally mass‐transfer‐limited heat generation and externally heat‐transfer‐limited heat dissipation, which ultimately controls catalyst stability. Furthermore, time‐advancement simulations uncover an intra‐particle activity stratification, demonstrating that spatially non‐uniform activity loss buffers downstream hotspot migration and ultimately extends overall catalyst lifetime. This work provides a powerful, particle‐centric modeling strategy for the design and long‐term optimization of fixed‐bed reactors for highly exothermic processes.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"19 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148688087","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

Shape‐based sieving of hexane isomers in liquid‐phase by a scalable metal–organic framework 用可伸缩金属有机骨架在液相中对己烷异构体进行基于形状的筛分

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-08-07 DOI: 10.1002/aic.70591

Yawei Gu, Bingbo Shen, Jingxian Hua, Fuan Guo, Haiqian Lian, Zemin Li, Chen Zhang, Chenkai Gu, Jianbo Hu, Lili Fan, Rujing Hou, Hao Wang, Yichang Pan, Weihong Xing

{"title":"Shape‐based sieving of hexane isomers in liquid‐phase by a scalable metal–organic framework","authors":"Yawei Gu, Bingbo Shen, Jingxian Hua, Fuan Guo, Haiqian Lian, Zemin Li, Chen Zhang, Chenkai Gu, Jianbo Hu, Lili Fan, Rujing Hou, Hao Wang, Yichang Pan, Weihong Xing","doi":"10.1002/aic.70591","DOIUrl":"https://doi.org/10.1002/aic.70591","url":null,"abstract":"The separation of mono‐ and di‐branched alkane isomers is an industrially important yet highly challenging process requiring precise pore structures. Here, we report a scalable metal–organic framework, Ni 3 (H 1.5 BTC) 2 (BTC)(DABCO) 3 (denoted as Ni‐HDB), featuring an anisotropic, “bat‐shaped” pore window that enables precise discrimination of the sterically similar 3‐methylpentane (3MP) and 2,3‐dimethylbutane (23DMB) pair (~0.3 Å difference in kinetic diameter), thereby enabling efficient separation of mono‐ and di‐branched isomers. Multicomponent vapor‐ and liquid‐phase experiments, supported by molecular simulations, reveal that separation arises from shape‐governed molecular accommodation rather than simple size exclusion. Notably, under industrially relevant liquid‐phase conditions, a packed column of pelleted Ni‐HDB directly produces a high‐octane gasoline fraction (RON > 91.5) from a five‐component alkane mixture, substantially exceeding the industrial benchmark of 83 for refined hexane mixtures. Combined with scalable synthesis, high stability, and low cost, this work establishes a practical, energy‐efficient route for liquid‐phase adsorptive upgrading of branched alkanes.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"15 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148687871","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

Lignin barrier reconstruction outweighs delignification in determining enzymatic hydrolysis of pretreated poplar 测定预处理杨树酶解的木质素屏障重建优于去木质素作用

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-08-07 DOI: 10.1002/aic.70577

Ruoyan Li, Wenna Guan, Ke Zheng, Xiaoxue Zhao, Daihui Zhang, Chenhuan Lai

{"title":"Lignin barrier reconstruction outweighs delignification in determining enzymatic hydrolysis of pretreated poplar","authors":"Ruoyan Li, Wenna Guan, Ke Zheng, Xiaoxue Zhao, Daihui Zhang, Chenhuan Lai","doi":"10.1002/aic.70577","DOIUrl":"https://doi.org/10.1002/aic.70577","url":null,"abstract":"Efficient lignin removal is widely considered essential for improving enzymatic hydrolysis of lignocellulose. However, lignin redistribution and structural changes during pretreatment may reconstruct the lignin barrier, impacting enzymatic hydrolysis. In this study, poplar was treated with a sequential hydrothermal–deep eutectic solvent pretreatment (HP–DES) and compared with standalone hydrothermal and DES pretreatments. Despite higher delignification efficiencies, HP‐DES‐pretreated substrates exhibited substantially lower enzymatic hydrolysis yields (33.5%–55.3%) than single DES‐pretreated substrates (41.2%–74.8%). To elucidate this counterintuitive behavior, lignin redistribution, structural evolution, and enzyme–lignin interactions were investigated using microscopic imaging, spectroscopic characterization, and reconstructed lignocellulose experiments. The results revealed that HP‐DES pretreatment promoted lignin migration toward the substrate surface, increased the number of phenolic hydroxyl groups, and enhanced lignin condensation, thereby intensifying enzyme non‐productive binding. These findings unraveled that lignin barrier reconstruction outweighs delignification in determining enzymatic hydrolysis, giving new insights into effective pretreatment process design.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"57 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148687872","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

Membrane‐aided simultaneous reaction–separation for liquid phase products 膜辅助液相产物同时反应分离

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-08-07 DOI: 10.1002/aic.70589

Yihan Song, Abdulmalik Dahiru, Alan Tirado, Cliff Kowall, Lei Li

引用次数: 0

Coupling of plasma discharge, bubble dynamics, and CO 2 conversion in a gas–liquid dielectric barrier discharge reactor 气液介质阻挡放电反应器中等离子体放电、气泡动力学和co2转换的耦合

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-08-07 DOI: 10.1002/aic.70582

Yadong Zhang, Junfeng Wang, Ping Li, Shuiqing Zhan, Jiameng Tian, Rui Yuan, Jiale Wang, Wei Zhang

{"title":"Coupling of plasma discharge, bubble dynamics, and CO 2 conversion in a gas–liquid dielectric barrier discharge reactor","authors":"Yadong Zhang, Junfeng Wang, Ping Li, Shuiqing Zhan, Jiameng Tian, Rui Yuan, Jiale Wang, Wei Zhang","doi":"10.1002/aic.70582","DOIUrl":"https://doi.org/10.1002/aic.70582","url":null,"abstract":"Plasma‐assisted carbon dioxide (CO 2 ) conversion in gas–liquid systems provides a potential pathway for carbon utilization under ambient conditions, yet its performance is often constrained by gas–liquid transport. This work investigates CO 2 conversion in a water‐filled dielectric barrier discharge (DBD) reactor by correlating discharge characteristics, bubble dispersion pattern, and conversion performance. High‐speed visualization reveals that the plasma discharge suppresses bubble coalescence and promotes breakup, shifting the bubble size distribution from a coarse unimodal population to a finer and more dispersed pattern. This transition is accompanied by increased bubble number density, enhanced interfacial renewal, and stronger bubble‐induced flows, thereby intensifying gas–liquid mass transfer. Correspondingly, the apparent gas‐phase CO 2 removal index reaches approximately 30% at low gas flow rates but decreases markedly with increasing flow rate, where hydrodynamic effects become dominant. The results suggest that conversion in gas–liquid DBD systems is closely associated with plasma‐modified bubble dynamics, providing mechanistic guidance for optimizing plasma‐assisted CO 2 conversion processes.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"157 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148688093","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

Screening of ILs by COSMO ‐ RS and machine learning for extraction of n‐propanol/n‐propyl ether: Mechanism and process 用COSMO - RS和机器学习筛选正丙醇/正丙醚提取的il：机理和过程

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-08-05 DOI: 10.1002/aic.70570

Yu Wang, Jun Li, Changyun Bai, Yi Zhang, Zhanxu Fan, Haikun Xie, Yubin Wang

{"title":"Screening of ILs by COSMO ‐ RS and machine learning for extraction of n‐propanol/n‐propyl ether: Mechanism and process","authors":"Yu Wang, Jun Li, Changyun Bai, Yi Zhang, Zhanxu Fan, Haikun Xie, Yubin Wang","doi":"10.1002/aic.70570","DOIUrl":"https://doi.org/10.1002/aic.70570","url":null,"abstract":"N‐propyl ether (DPE) is produced via acid‐catalyzed dehydration of n‐propanol (NPA), forming a minimum‐boiling azeotrope. Conventional separation processes face challenges in both efficiency and product purity. In this work, a multi‐scale approach was employed to develop an ionic liquids (ILs)‐based extractive separation process. Following a systematic framework from molecular structure and solvent screening to experimental validation, microscopic mechanism and process simulation, a green, efficient, and clean method for separating azeotrope using ILs was investigated. An initial screening of 378 ILs was conducted based on the COSMO‐RS model, and machine learning algorithms were introduced to achieve high‐throughput prediction of ILs viscosity. Selected ILs were evaluated for thermal stability and toxicity, confirmed by phase equilibrium experiments. Molecular simulation revealed extraction mechanisms at molecular‐electronic levels. Compared to conventional processes, the designed extraction process reduces TAC by 38.35% and cooling water consumption by 38.68%, offering a transferable strategy for the separation of alcohol‐ether azeotropes.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"40 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148675082","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

Enhanced discrimination of 1‐octene over 2‐octene for high‐selectivity separation by bimetallic Ag + /Cu 2+ ionic liquid Ag + / cu2 +双金属离子液体对1 -辛烯和2 -辛烯的高选择性鉴别增强

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-08-03 DOI: 10.1002/aic.70568

Xueqi Shi, Hongbin Wang, Chuanqi Geng, Siya Ding, Qiuyan Ding, Hong Li, Shun Liu, Xin Gao

{"title":"Enhanced discrimination of 1‐octene over 2‐octene for high‐selectivity separation by bimetallic Ag + /Cu 2+ ionic liquid","authors":"Xueqi Shi, Hongbin Wang, Chuanqi Geng, Siya Ding, Qiuyan Ding, Hong Li, Shun Liu, Xin Gao","doi":"10.1002/aic.70568","DOIUrl":"https://doi.org/10.1002/aic.70568","url":null,"abstract":"The separation of 1‐octene from 2‐octene is a key bottleneck in the purification of Fischer–Tropsch (F–T) C8 α‐olefins because of their similar physicochemical properties and competitive metal–olefin complexation. To address the limited discrimination between terminal and internal olefins, this study systematically screened metal‐based ionic‐liquid extractants and introduced Cu 2+ into Ag + ‐based ionic liquid (IL) system. The resulting bimetallic Ag + /Cu 2+ ‐IL increased the 1‐octene/2‐octene selectivity by up to 74.6% relative to the corresponding single‐Ag + reference system. Quantum chemical calculations, molecular dynamics simulations, multistage extraction experiments, and process modeling indicate that Cu 2+ is associated with altered Ag‐centered local binding and accessibility, consistent with reduced 2‐octene co‐extraction. The bimetallic system maintained its selectivity advantage under multistage operation with 99.97% cumulative 1‐octene recovery and achieved an 80.7% reduction in energy demand relative to conventional distillation. This work offers a new mechanistic strategy and a process‐feasible route for separating terminal olefins from internal olefins.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"25 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148675083","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

Role of the third component in CO 2 absorption by tetrabutylammonium bromide‐based deep eutectic solvents 第三组分在四丁基溴化铵基深度共晶溶剂吸收co2中的作用

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-08-01 DOI: 10.1002/aic.70567

Guilin Wen, Wenqiang Li, Jinghong Wang, Yinglong Wang, Peizhe Cui, Zhaoyou Zhu, Xin Li

{"title":"Role of the third component in CO 2 absorption by tetrabutylammonium bromide‐based deep eutectic solvents","authors":"Guilin Wen, Wenqiang Li, Jinghong Wang, Yinglong Wang, Peizhe Cui, Zhaoyou Zhu, Xin Li","doi":"10.1002/aic.70567","DOIUrl":"https://doi.org/10.1002/aic.70567","url":null,"abstract":"Deep eutectic solvents (DESs) represent promising carbon dioxide (CO 2 ) absorbents. In this study, experimental and molecular simulation studies were conducted to investigate the effects of incorporating a third component on the CO 2 absorption capacity of DESs using 3‐aminopropanol and monoethanolamine as hydrogen bond donors (HBDs). Piperazine (PZ) was introduced as a secondary HBD, while water or methanol (H 2 O or MeOH) was incorporated into the DES as a cosolvent. The introduction of these third components significantly enhanced the CO 2 absorption performance; however, the high viscosity restricted further CO 2 uptake enhancement of the PZ‐functionalized DES. Fourier‐transform infrared analysis confirmed that CO 2 was chemically absorbed by all four DES systems. The two cosolvents effectively reduced the viscosity and significantly improved the CO 2 absorption performance of the DESs. Furthermore, molecular dynamics simulations demonstrated that the cosolvents do not alter the interaction patterns but enhance the effective contact between the DES components and CO 2 .","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"56 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148633699","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

Evaluation of plasma‐reaction‐driving capability in dielectric barrier discharge systems: Insights from CH 4 splitting 介质阻挡放电系统中等离子体-反应-驱动能力的评估：来自ch4分裂的见解

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-07-31 DOI: 10.1002/aic.70565

Nan Zou, Joshua M. Pearce, Amarjeet Bassi, Michael S. H. Boutilier, Ying Zheng

{"title":"Evaluation of plasma‐reaction‐driving capability in dielectric barrier discharge systems: Insights from CH 4 splitting","authors":"Nan Zou, Joshua M. Pearce, Amarjeet Bassi, Michael S. H. Boutilier, Ying Zheng","doi":"10.1002/aic.70565","DOIUrl":"https://doi.org/10.1002/aic.70565","url":null,"abstract":"Dielectric barrier discharge (DBD) plasma systems are promising routes for CH 4 splitting to CO x ‐free hydrogen, but their optimization has historically been hindered by the lack of a universal descriptor linking electrical input with chemical output. Here, we propose the plasma effective driving factor (PED) as a physics‐informed engineering descriptor for evaluating plasma‐reaction‐driving capability in DBD reactors. PED integrates three coupled aspects of plasma activation: electric‐field‐driven electron acceleration, electron–molecule collision efficiency, and reactor‐scale participation of active microdischarges. Using CH 4 splitting as the primary reaction system, we show that PED captures plasma discharge and performance variations not consistently resolved by conventional electrical parameters. Extension to published DBD systems suggests the potential of PED for comparative analysis beyond the present CH 4 splitting system. Overall, PED provides a practical engineering framework for relating discharge‐state variation to chemical reaction response and offers a comparative basis for evaluating plasma‐reaction‐driving capability across different DBD conditions.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"13 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148633700","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