AIChE Journal最新文献

On the particle kinetics in the synthesis of polymer grains via multiscale simulation of suspension polymerization 基于悬浮聚合多尺度模拟的聚合物颗粒合成动力学研究

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-09-12 DOI: 10.1002/aic.70076

Jian‐Peng Han, Ya‐Nan Yang, Qiang Niu, Zheng‐Hong Luo, Wei‐Cheng Yan, Yin‐Ning Zhou

{"title":"On the particle kinetics in the synthesis of polymer grains via multiscale simulation of suspension polymerization","authors":"Jian‐Peng Han, Ya‐Nan Yang, Qiang Niu, Zheng‐Hong Luo, Wei‐Cheng Yan, Yin‐Ning Zhou","doi":"10.1002/aic.70076","DOIUrl":"https://doi.org/10.1002/aic.70076","url":null,"abstract":"Understanding of the intricate interplay between particle kinetics and spatially heterogeneous distribution is crucial for synthesis of polymer grains. In this contribution, a comprehensive multiscale model based on computational fluid dynamics‐population balance model, including breakage and coalescence terms, is developed and validated with experimental data using vinyl chloride (VC) suspension polymerization as a case study. The colloid protection ability of dispersant‐polyvinyl alcohol (PVA) at the VC/water interface is quantified by introducing a modified factor η = 0.001875 for the coalescence term, accounting for surface coverage ratio (Γ/Γm). Subsequently, for the non‐reactive stage, according to the simulated droplet size distribution (DSD) under different stirring speeds (N) and VC phase volume fractions (φ), a linear formula is developed to correlate d32 of VC droplets with N−1.2 and φ, that is, d32 = 66,034(1 + 2.236φ)N−1.2 + 12.96. For the reactive stage, relatively a higher stirring speed (N = 600 rpm) enables a gradually increased d32 during polymerization, taking variation of droplets/particles properties into account, which thus prevents the formation of larger PVC grains. This work offers insights into the multiscale phenomena during VC suspension polymerization and can be generalized to the production processes of other polymer grains.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"62 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145035371","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 selectivity of carboxylic acid surfactants in fluorite flotation via cation–π interaction coupling 通过阳离子-π相互作用偶联提高羧酸表面活性剂在萤石浮选中的选择性

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-09-11 DOI: 10.1002/aic.70077

Jiang Yu, Ziqian Zhao, Wei Chen, Tianguo Mei, Sheng Liu, Guangyi Liu, Hongbo Zeng

{"title":"Enhancing the selectivity of carboxylic acid surfactants in fluorite flotation via cation–π interaction coupling","authors":"Jiang Yu, Ziqian Zhao, Wei Chen, Tianguo Mei, Sheng Liu, Guangyi Liu, Hongbo Zeng","doi":"10.1002/aic.70077","DOIUrl":"https://doi.org/10.1002/aic.70077","url":null,"abstract":"The rapid depletion of high‐grade fluorite deposits has made the purification of fluorite from low‐grade ores increasingly critical. Traditional carboxylate surfactants face significant challenges in fluorite/calcite separation due to their similar affinity for both minerals. To address this limitation, we designed a novel surfactant 1‐(2‐octyldodecyl)‐1,2‐phenyl dicarboxylate (ODBD), containing phenyl groups, which exhibited superior flotation separation performance for fluorite and calcite compared to sodium oleate. X‐ray photoelectron spectroscopy, surface force measurements, and first‐principles calculations confirm that ODBD's carboxyl groups adsorbed onto fluorite and calcite in deprotonated forms, while its phenyl groups engaged in cation–π interactions with markedly higher affinity for fluorite surfaces. This dual adsorption mechanism created a pronounced synergistic effect, leading to superior selective adsorption of ODBD on fluorite. These findings demonstrate that coupling cation–π interactions with chemical interactions represents a viable strategy to significantly enhance surfactant selectivity, providing valuable insights for the optimization of traditional surfactants.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"100 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145035402","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 systematic screening of neural network‐based hybrid models of adsorption in chromatography processes 色谱过程中基于神经网络的混合吸附模型的系统筛选

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-09-06 DOI: 10.1002/aic.70045

Jesper Frandsen, Vinicius V. Santana, Peter Jul‐Rasmussen, Idelfonso B.R. Nogueira, Jakob K. Huusom, Krist V. Gernaey, Jens Abildskov

引用次数: 0

Mechanism modeling of microwave‐induced relative volatility change via molecular thermodynamics 微波诱导相对挥发性变化的分子热力学机理模拟

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-09-06 DOI: 10.1002/aic.70069

Kai Liu, Na Wang, Hong Li, Zhenyu Zhao, Xin Gao

{"title":"Mechanism modeling of microwave‐induced relative volatility change via molecular thermodynamics","authors":"Kai Liu, Na Wang, Hong Li, Zhenyu Zhao, Xin Gao","doi":"10.1002/aic.70069","DOIUrl":"https://doi.org/10.1002/aic.70069","url":null,"abstract":"Although there is a significant strengthening effect, the unclear intrinsic mechanism of microwave (MW)‐enhanced vapor–liquid mass transfer separation has hindered its refined application in chemical separation processes. To address this issue, we elucidate this intensification mechanism from a molecular thermodynamic perspective, integrating molecular‐scale microwave selective heating with macroscopic vapor–liquid equilibrium theory. Our analysis reveals that molecular aggregates overheating and evaporative kinetic energy increase induced by microwave selective heating are the primary drivers of the MW‐induced relative volatility change (MIRVC) effect. The developed thermodynamic model demonstrates that the MIRVC effect is co‐regulated by the binary system's thermodynamic properties, dielectric characteristics, and microwave field intensity. The strong agreement between model predictions and experimental results from MW‐induced distillation separation robustly validates the reliability of the MIRVC thermodynamic model, providing fundamental insights and design principles for the precise application of MW‐enhanced vapor–liquid mass transfer in chemical separation, thereby advancing low‐carbon and high‐efficiency chemical production.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"24 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145003183","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

Sustainable separation of 1‐methoxy‐2‐propanol and water azeotrope: Mechanistic insights and hybrid process innovation 1 -甲氧基- 2 -丙醇和水共沸物的可持续分离：机理见解和混合工艺创新

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-09-02 DOI: 10.1002/aic.70070

Yulin Li, Qian Liu, Ke Wang, Kunchi Xie, Xiangyi Kong, Zhen Song, Zhiwen Qi, Hongye Cheng

{"title":"Sustainable separation of 1‐methoxy‐2‐propanol and water azeotrope: Mechanistic insights and hybrid process innovation","authors":"Yulin Li, Qian Liu, Ke Wang, Kunchi Xie, Xiangyi Kong, Zhen Song, Zhiwen Qi, Hongye Cheng","doi":"10.1002/aic.70070","DOIUrl":"https://doi.org/10.1002/aic.70070","url":null,"abstract":"Efficient separation of high water‐content azeotropes such as 1‐methoxy‐2‐propanol (PGME) and water is crucial but challenging. Herein, a green and low‐energy hybrid extraction‐distillation process was developed using dibutyl oxalate (DBO) as the extractant. Experimental evaluations revealed the superior performance of DBO with high selectivity and minimal solvent loss at various PGME concentrations. Mechanistic studies via molecular simulations and FT‐IR analyses demonstrated that hydrogen bonding between the carbonyl group of DBO and the hydroxyl group of PGME drives the selective extraction. Process simulation indicated a 37.0% reduction in solvent circulation, 52.6% in energy consumption, and 57.9% in carbon footprint compared to conventional benzene‐based azeotropic distillation. Life cycle assessment further confirmed the environmental benefits of DBO, highlighting its low toxicity, biodegradability, and renewable synthesis potential. This work presents a sustainable and cost‐effective strategy not only for PGME‐water separation but also for other high water‐content azeotropes separation.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"57 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144928264","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

Cuprous ionic liquid engineering combined with preorganized hydrogen‐bond donors for enhanced carbon monoxide capture 铜离子液体工程结合预组织氢键供体增强一氧化碳捕获

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-09-01 DOI: 10.1002/aic.70030

Guokai Cui, Chengyu Ren, Ruina Zhang, Xing Li, Zhenzhen Yang, Lei Zhang, Quanli Ke, Ying Zhou, Hanfeng Lu, Sheng Dai

{"title":"Cuprous ionic liquid engineering combined with preorganized hydrogen‐bond donors for enhanced carbon monoxide capture","authors":"Guokai Cui, Chengyu Ren, Ruina Zhang, Xing Li, Zhenzhen Yang, Lei Zhang, Quanli Ke, Ying Zhou, Hanfeng Lu, Sheng Dai","doi":"10.1002/aic.70030","DOIUrl":"https://doi.org/10.1002/aic.70030","url":null,"abstract":"Carbon monoxide (CO) is a toxic but valuable precursor for organic synthesis. Thus, CO capture is an important and sustainable process. Here, a strategy of cuprous ionic liquid engineering combined with preorganized hydrogen‐bond donors (HBDs) was first developed to form a series of functional deep eutectic solvents (DESs) for enhanced CO capture via promoting cooperation, and the stepped sorption isotherms with a characteristic threshold “gate‐opening” pressure were obtained. It was found that the enhanced absorption capacity (up to 220%) and enhanced working capacity (up to 310%) can be reached by DESs with preorganized HBDs. Quantum‐chemical calculations and spectroscopic investigations revealed that cooperative interactions and preorganized benzenediols were the reason for equimolar capacities. Additionally, at least 17 absorption–desorption cycles with high CO capacity could be reached, indicating excellent reversibility. Thus, easy preparation, high Cu(I) efficiency, and high working capacity make these DESs an alternative way for CO capture.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"26 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144924146","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

Scalable preparation of high‐performance ceramic catalytic membranes for continuous hydrogenation 连续加氢高性能陶瓷催化膜的规模化制备

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-09-01 DOI: 10.1002/aic.70027

Jiuxuan Zhang, Guodong Shao, Yan Du, Zhengyan Qu, Zhenchen Tang, Hong Jiang, Rizhi Chen

{"title":"Scalable preparation of high‐performance ceramic catalytic membranes for continuous hydrogenation","authors":"Jiuxuan Zhang, Guodong Shao, Yan Du, Zhengyan Qu, Zhenchen Tang, Hong Jiang, Rizhi Chen","doi":"10.1002/aic.70027","DOIUrl":"https://doi.org/10.1002/aic.70027","url":null,"abstract":"The industrial viability of catalytic membrane relies on its high mechanical strength, large surface area per volume, and scalable production. Multi‐channel ceramic membranes (CM) offer these advantages, making them promising supports for catalytic membranes. Here, a 22 cm‐scale modular system was developed using single‐core and three‐core configurations to fabricate and evaluate Co@CM multi‐channel catalytic membranes. Key synthesis parameters—including pump speed, dopamine and Co2+ concentrations, and pyrolysis temperature—were systematically optimized. Batch production of Co@CM membranes with consistent properties was successfully achieved in the three‐core module. The optimized Co@CM‐15‐9‐25‐700 catalyst demonstrated near‐complete 4‐nitrophenol conversion within 10 min and sustained performance for over 50 h, delivering a 4‐aminophenol productivity of 104.1 mmol/h—far surpassing previously reported catalytic systems. This study establishes a scalable and robust membrane preparation strategy, offering a practical platform for industrial catalytic applications under continuous‐flow conditions.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"35 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144924147","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

The hydroxide‐mediated non‐CO pathway: Overcoming CO poisoning in methanol electrolysis at 500 mA cm−2 氢氧化物介导的非CO途径：克服500 mA cm - 2甲醇电解中的CO中毒

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-08-27 DOI: 10.1002/aic.70061

Guoqing Zhang, Zeyu Guan, Ying Zhang, Linfeng Lei, Siyao Li, Linzhou Zhuang, Zhi Xu

{"title":"The hydroxide‐mediated non‐CO pathway: Overcoming CO poisoning in methanol electrolysis at 500 mA cm−2","authors":"Guoqing Zhang, Zeyu Guan, Ying Zhang, Linfeng Lei, Siyao Li, Linzhou Zhuang, Zhi Xu","doi":"10.1002/aic.70061","DOIUrl":"https://doi.org/10.1002/aic.70061","url":null,"abstract":"Replacing the oxygen evolution reaction with the methanol oxidation reaction (MOR) is a promising strategy for energy‐efficient H2 production, yet it is severely hampered by CO poisoning of Pt‐based catalysts. We introduce a strategy to intrinsically prevent CO formation by reshaping the reaction landscape via a hydroxide‐rich interface. The designed catalyst, featuring a PtRu nanoalloy anchored on in situ grown Ni(OH)2 nanosheets, provides abundant OH* species. These OH* intercept the CHO* intermediate, diverting the reaction toward a formate pathway and completely bypassing CO* formation. In situ spectroscopy and mass spectrometry confirm this exclusive non‐CO route, showing no CO species formation. Consequently, the catalyst delivers ultrahigh MOR mass activity of 3.31 A mg−1 Pt. When assembled into a hybrid electrolyzer, it sustains 500 mA cm−2 for >92 h at an ultralow cell voltage (0.80 V). This work validates a robust hydroxide‐mediated design principle that eliminates CO poisoning at its source, enabling practical, high‐current H2 production.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"27 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144906010","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

Robust design of flexible supply chains with mobile and modular facilities 灵活的供应链与移动和模块化设施的稳健设计

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-08-05 DOI: 10.1002/aic.70011

Congqin Ge, Zhihong Yuan, Qi Zhang

引用次数: 0

Engineering and scale‐up of pervaporation membrane with an intermediate PEBA layer and an optimized PDMS layer 具有中间PEBA层和优化PDMS层的渗透蒸发膜的工程和规模化

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-08-05 DOI: 10.1002/aic.70025

Danyang Song, Jie Li, Peng Cai, Yike Wang, Jiashu Liu, Naixin Wang, Hong Meng, Xianshe Feng, Quan‐Fu An

{"title":"Engineering and scale‐up of pervaporation membrane with an intermediate PEBA layer and an optimized PDMS layer","authors":"Danyang Song, Jie Li, Peng Cai, Yike Wang, Jiashu Liu, Naixin Wang, Hong Meng, Xianshe Feng, Quan‐Fu An","doi":"10.1002/aic.70025","DOIUrl":"https://doi.org/10.1002/aic.70025","url":null,"abstract":"The fabrication and scale‐up of pervaporation composite membranes are often challenged by pore penetration into microporous substrate. This study presents an innovative composite membrane featuring an intermediate poly(ether‐block‐amide) (PEBA) layer formed at a liquid–liquid interface, effectively preventing pore penetration and enabling uniform deposition of the selective polydimethylsiloxane (PDMS) layer. The PDMS layer was precisely controlled through dynamic monitoring of the membrane solution droplets spreading, optimizing the PDMS spreading thermodynamic and kinetic parameters involved. SEM confirmed the dense top‐layer structure of the PDMS‐PEBA/polytetrafluoroethylene (PTFE) membrane, with controllable thicknesses of individual layers. The appropriate thicknesses for the PEBA and PDMS layers were investigated through both the resistance model analysis and pervaporation test results. Based on this trilayer structure, a scale‐up 600 cm2 PDMS‐PEBA/PTFE membrane demonstrated a separation factor of 22.4 and a flux of 1.9 kg/m2/h for concentrating n‐butanol (60°C, 1 wt.% n‐butanol/water), highlighting its potential for industrial applications.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"14 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144786552","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