AIChE Journal最新文献_第7页

MgAl ‐layered double hydroxide/activated carbon catalyst enabling fast CO 2 absorption in tertiary amine solutions MgAl -层状双氢氧化物/活性炭催化剂，使二氧化碳在叔胺溶液中快速吸收

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-09-24 DOI: 10.1002/aic.70659

Xiaowen Zhang, Yuan Wei, Feiying Tang, Fangfang Zhao, Kuiyi You, He'an Luo, Paitoon Tontiwachwuthikul, Zhiwu Liang

{"title":"MgAl ‐layered double hydroxide/activated carbon catalyst enabling fast CO 2 absorption in tertiary amine solutions","authors":"Xiaowen Zhang, Yuan Wei, Feiying Tang, Fangfang Zhao, Kuiyi You, He'an Luo, Paitoon Tontiwachwuthikul, Zhiwu Liang","doi":"10.1002/aic.70659","DOIUrl":"https://doi.org/10.1002/aic.70659","url":null,"abstract":"The practical utilization of tertiary amine solvents in CO 2 capture is restricted because of their slow kinetics of CO 2 absorption. Herein, this study designed an innovative solid base catalyst, a layered double hydroxide/activated carbon (LDH/AC) composite catalyst, that greatly accelerates CO 2 absorption. LDH/AC utilizes high surface area, strong basic sites, and abundant oxygen vacancies to boost CO 2 absorption in N‐methyldiethanolamine solution (MDEA) via a base‐catalyzed mechanism. Only 0.1 wt% dosage of LDH/AC 1:1 increases the CO 2 absorption rate by 256% as compared to the non‐catalyzed MDEA system, and keeps excellent stability after 10 cycles. Online FT‐IR provided additional evidence of the LDH/AC 1:1 catalyst's synergistic enhancing impact. Furthermore, theoretical calculations reveal a 47% reduction in the reaction energy barrier of the rate‐limiting step, providing molecular‐level proof for the catalytic absorption enhancement. This study offers a promising route for developing high‐efficiency and sustainable CO 2 capture technologies using solid base catalysts.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"226 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149048884","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 driven many‐objective moving horizon scheduling optimization 机器学习驱动多目标移动地平线调度优化

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-09-24 DOI: 10.1002/aic.70657

Hongxuan Wang, Andrew Allman

引用次数: 0

A computational study of Ising‐based solvers for discrete landscape exploration in process optimization 离散景观勘探过程优化中基于Ising求解器的计算研究

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-09-24 DOI: 10.1002/aic.70656

Yirang Park, David E. Bernal Neira

{"title":"A computational study of Ising‐based solvers for discrete landscape exploration in process optimization","authors":"Yirang Park, David E. Bernal Neira","doi":"10.1002/aic.70656","DOIUrl":"https://doi.org/10.1002/aic.70656","url":null,"abstract":"Conceptual process design combines discrete configuration choices with continuous operating decisions, often yielding difficult mixed‐integer nonlinear or simulation‐based optimization problems. This work presents an exploratory computational assessment of Ising‐based solvers, simulated annealing, quantum annealing, and entropy computing, as candidate methods for discrete process design subproblems within a sequential process systems engineering workflow. Two case studies, an ionic‐liquid reactor‐separator network and a drug‐substance manufacturing process, compare these methods with deterministic branch‐and‐bound strategies. Deterministic methods rapidly recover optimal discrete solutions, whereas Ising‐based solvers generate distributions of feasible candidate configurations. Downstream evaluation further shows that discrete‐subproblem objective rankings may differ from rankings based on the integrated process objective, revealing limitations of sequential decomposition when discrete and continuous decisions are strongly coupled. The study characterizes current solver behavior, practical QUBO/Ising reformulation requirements, and implementation considerations for applying emerging Ising‐based optimization tools in process systems engineering.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"269 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149048881","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

Hierarchically structured core–shell nanofibrous membrane for one‐step blood separation and liver biomarkers detection 用于一步血液分离和肝脏生物标志物检测的分层结构核-壳纳米纤维膜

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-09-24 DOI: 10.1002/aic.70654

Jianjing Shen, Min Zhou, Mengjiao Zhu, Xueli Yuan, Shuo Xue, Wei Zhang, Yu Liu, Tao Liu, Guangru Zhang, Zhenyu Chu

{"title":"Hierarchically structured core–shell nanofibrous membrane for one‐step blood separation and liver biomarkers detection","authors":"Jianjing Shen, Min Zhou, Mengjiao Zhu, Xueli Yuan, Shuo Xue, Wei Zhang, Yu Liu, Tao Liu, Guangru Zhang, Zhenyu Chu","doi":"10.1002/aic.70654","DOIUrl":"https://doi.org/10.1002/aic.70654","url":null,"abstract":"Chronic liver disease (CLD) affects over 844 million people and causes more than 2 million deaths annually worldwide. Current blood tests, though convenient and low‐cost, require plasma separation using bulky instruments with lengthy turnaround times. Herein, we have proposed a permeation‐biosensing membrane integrating membrane separation with electrochemical biosensor for on‐site quantification of lactate and alpha‐fetoprotein (AFP). This membrane is one‐step weaved by core‐shell nanofibers through potential‐regulated electrospinning. Its top side is featured by a biocompatible porous structure to effectively reject blood cells to allow plasma permeation. The bottom side immobilized the bio‐recognizer (enzyme or antibody) to capture liver biomarkers (lactate or AFP). Using finger‐prick blood from clinical patients, the membrane achieves total analysis times of 140 s for lactate and 22 min for AFP, including the blood separation and analysis periods. This facile and onsite whole‐blood‐test membrane enables a portable device for home‐in daily monitoring of long‐term liver disease.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"4 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149048883","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

Interface‐regulated Co‐doped Pd/ ZSM ‐5 toward efficient selective hydrogenation of phenol to cyclohexanone 界面调节Co掺杂Pd/ ZSM - 5对苯酚选择性加氢制备环己酮的研究

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-09-22 DOI: 10.1002/aic.70666

Diancong Guo, Yutong Wang, Xin Yu, Hao Yang, Qian Li, Bofeng Zhang, Yajie Tian

{"title":"Interface‐regulated Co‐doped Pd/\u0000 ZSM\u0000 ‐5 toward efficient selective hydrogenation of phenol to cyclohexanone","authors":"Diancong Guo, Yutong Wang, Xin Yu, Hao Yang, Qian Li, Bofeng Zhang, Yajie Tian","doi":"10.1002/aic.70666","DOIUrl":"https://doi.org/10.1002/aic.70666","url":null,"abstract":"Cyclohexanone serves as a crucial precursor in the chemical industry and can be produced via selective hydrogenation of phenol, a process that suffers from sluggish reaction kinetics and over‐hydrogenation to cyclohexanol. This study develops a hierarchical ZSM‐5 zeolite‐supported Pd–Co bimetallic catalyst (Pd–Co/DZ) that addresses this dichotomy through a synergistic dual‐function design. Compared with monometallic Pd, the formation of highly dispersed Pd–Co alloy substantially enhances the adsorption and activation rate of H 2 , thereby accelerating the phenol hydrogenation. The hierarchical zeolite exploits its abundant surface defect sites to chelate Co species, generating Co–O–Si bonds. This configuration promotes the tilted adsorption of phenol while suppressing the deep hydrogenation of cyclohexanone to cyclohexanol. Leveraging the dual role of Co in the Pd/ZSM‐5 under a phenol‐to‐Pd molar ratio of 1132, a turnover frequency of 268.9 h −1 for phenol‐to‐cyclohexanone with 93.1% yield is achieved. This work provides valuable insights for the design of catalysts in the hydrogenation of phenolics.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"195 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149022173","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

Au‐coverage‐dependent coordination engineering of PdAu catalysts for ambient direct synthesis of H 2 O 2 in pure water PdAu催化剂在纯水环境下直接合成h2o2的Au覆盖依赖性配位工程

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-09-21 DOI: 10.1002/aic.70658

Qian Wang, Linxing Xie, Jiacheng Xie, Yao Qin, Liwen Mu, Zengxi Wei, Shuangliang Zhao

{"title":"Au‐coverage‐dependent coordination engineering of PdAu catalysts for ambient direct synthesis of H 2 O 2 in pure water","authors":"Qian Wang, Linxing Xie, Jiacheng Xie, Yao Qin, Liwen Mu, Zengxi Wei, Shuangliang Zhao","doi":"10.1002/aic.70658","DOIUrl":"https://doi.org/10.1002/aic.70658","url":null,"abstract":"Au alloying tunes Pd coordination to enhance selectivity for direct synthesis of H 2 O 2 (DSHP), but the structure–activity relationship remains unclear. We fabricated Pd@Au x core–shell catalysts with controlled Au coverage via H 2 purging and evaluated them in a microreactor under ambient conditions in pure water. H 2 O 2 formation shows a volcano‐shaped trend vs. Pd/Au ratio. The optimal Pd/Au≈1:1 gives 1785 ppm H 2 O 2 and a yield of 190.8 mol·kgcat −1 ·h −1 . DFT calculations reveal a similar volcano‐shaped trend for Au loading. Pd–Au 3 exhibits the lowest free energy for O 2 protonation to OOH (Δ G = −0.15 eV) and the highest barrier for the four‐electron side reaction (1.31 eV), achieving optimal activity and selectivity. This originates from a moderate d‐band center at −1.80 eV, lying in the Sabatier regime. This work provides insights into Au‐loading regulation on Pd, guiding rational catalyst design.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"76 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149010043","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

Making imprinted polymers work in water: Engineering interfaces for better resveratrol separation 使印迹聚合物在水中工作：更好地分离白藜芦醇的工程界面

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-09-21 DOI: 10.1002/aic.70661

Chen Yang, Hongyan Zhang, Wanqi Du, Zijian Zhang, Minjia Meng

{"title":"Making imprinted polymers work in water: Engineering interfaces for better resveratrol separation","authors":"Chen Yang, Hongyan Zhang, Wanqi Du, Zijian Zhang, Minjia Meng","doi":"10.1002/aic.70661","DOIUrl":"https://doi.org/10.1002/aic.70661","url":null,"abstract":"The practical application of molecularly imprinted polymers (MIPs) in aqueous separations is critically hindered by an inherent trade‐off between binding capacity and selectivity, stemming from non‐specific hydrophobic interactions. Addressing this challenge, this work establishes a robust structure–performance relationship by precisely engineering the interfacial hydrophilicity of resveratrol‐imprinted microspheres via epoxide ring‐opening. Systematically varying the modification chemistry achieved wide‐range tunability of surface wettability, with water contact angles (WCA) spanning 124.4°–19.9°. An optimal amphiphilic balance (WCA = 52.5°) using zwitterionic glycine delivered a high adsorption capacity of 43.14 mg g −1 and an imprinting factor of 2.08 under competitive aqueous conditions. Supported by molecular dynamics (MD) simulations, the optimized interface fosters a synergistic hydration shield, effectively repelling interfering species while facilitating targeted resveratrol capture. Our findings resolve the critical capacity‐selectivity paradox, providing a generalizable paradigm for developing high‐performance separation materials for complex aqueous streams in bio‐processing and pharmaceutical wastewater treatment.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"4 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149010090","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

High‐density single‐atom Ni doping into α ‐ MoC 1 − x triggers orbital rehybridization for enhanced catalytic hydrogenation 高密度单原子Ni掺杂到α - MoC 1 - x中触发轨道再杂化以增强催化氢化作用

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-09-21 DOI: 10.1002/aic.70669

Chengcheng Zhang, Qinggan Zeng, Boyang Wang, Ke Zeng, Wei Wang, Jinyang Ma, Liqiang Wang, You‐Nian Liu

{"title":"High‐density single‐atom Ni doping into α ‐ MoC 1 − x triggers orbital rehybridization for enhanced catalytic hydrogenation","authors":"Chengcheng Zhang, Qinggan Zeng, Boyang Wang, Ke Zeng, Wei Wang, Jinyang Ma, Liqiang Wang, You‐Nian Liu","doi":"10.1002/aic.70669","DOIUrl":"https://doi.org/10.1002/aic.70669","url":null,"abstract":"Cubic α ‐phase molybdenum carbide ( α ‐MoC 1− x ) exhibits a noble‐metal‐like electronic structure arising from the hybridization of Mo d‐orbital and C p‐orbital, yet the intrinsic activity is constrained by suboptimal substrate binding. Herein, a Ni single‐atom‐doped α ‐MoC 1− x catalyst with a Ni loading up to 5 wt% is prepared via one‐step carburization, which exhibits remarkable catalytic performance for hydrogenation of carbonyls, nitroarenes, and N‐heterocycles. In situ experiments and theoretical calculations demonstrate Ni promotes the low‐temperature formation of α ‐MoC 1− x and achieves high‐density atomic dispersion within the carbide lattice. Mo–C sites serve as the real active centers for hydrogenation, and Ni single atoms can trigger d‐p orbital rehybridization in α ‐MoC 1− x and an upward shift of the d‐band center, leading to optimized adsorption, dissociation, and migration of H‐species. This work provides an efficient pathway to improve the intrinsic property of α ‐MoC 1− x at the atomic level, thereby enhancing catalytic performance for, but not limited to, hydrogenation reactions.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"83 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149010045","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

Atomically dispersed Pd as an effective modifier of Cu‐based catalysts for enhanced CO 2 hydrogenation to methanol 原子分散钯作为Cu基催化剂的有效改性剂促进co2加氢制甲醇

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-09-21 DOI: 10.1002/aic.70664

Changjiang Yang, Xiuqin Ci, Jiachen Xie, Chenghu Wei, Ning Sun, Tie Yu, Weiqiao Deng, Guoqing Ren

{"title":"Atomically dispersed Pd as an effective modifier of Cu‐based catalysts for enhanced CO 2 hydrogenation to methanol","authors":"Changjiang Yang, Xiuqin Ci, Jiachen Xie, Chenghu Wei, Ning Sun, Tie Yu, Weiqiao Deng, Guoqing Ren","doi":"10.1002/aic.70664","DOIUrl":"https://doi.org/10.1002/aic.70664","url":null,"abstract":"Catalytic CO 2 hydrogenation to methanol is pivotal for sustainable carbon closed‐loops. Copper‐based catalysts are widely used for this reaction, but are inherently limited by sluggish hydrogen dissociation kinetics. Although Pd can overcome the sluggish low‐temperature H 2 activation of traditional Cu catalysts, its introduction typically triggers side reactions that diminish methanol selectivity. Herein, we resolve this trade‐off by precisely tailoring Pd dispersion in covalent triazine framework (CTF)‐supported Cu catalysts ( x Pd/CZC). We demonstrate that atomically dispersed Pd boosts hydrogen dissociation while retaining high methanol selectivity, whereas aggregated Pd promotes undesired pathways. The optimal 2.5Pd/CZC achieves a methanol space–time yield of 1217 mg MeOH g Cu+Pd −1 h −1 with 80% selectivity at 240°C and 5 MPa, outperforming the pristine Cu catalyst 1.86‐fold. Mechanistic studies reveal atomic Pd balances H 2 dissociation and H* binding affinity, effectively suppressing side reactions. This work provides valuable insights for the rational design of high‐performance catalysts via atomic‐scale promoter engineering.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"7 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149010044","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

Online adaptive model‐based stochastic control with limited data: A case study with a colloidal self‐assembly system 基于有限数据的在线自适应模型随机控制：一个胶体自组装系统的案例研究

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2026-09-19 DOI: 10.1002/aic.70662

Syeda Simra Shoaib, Henry Hanchey, Wei Sun, Zheyu Jiang, Xun Tang

引用次数: 0