AIChE Journal最新文献_第10页

Droplet contact numbers and contact probabilities in liquid-liquid dense-packed zones 液-液密集区液滴接触数和接触概率

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-01-03 DOI: 10.1002/aic.18723

Stepan Sibirtsev, Lukas Thiel, Andrey Kirsanov, Andreas Jupke

引用次数: 0

Adaptive sampling Bayesian algorithm for constrained black-box optimization problems 约束黑箱优化问题的自适应抽样贝叶斯算法

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2025-01-02 DOI: 10.1002/aic.18715

Shuyuan Fan, Xiaodong Hong, Zuwei Liao, Congjing Ren, Yao Yang, Jingdai Wang, Yongrong Yang

{"title":"Adaptive sampling Bayesian algorithm for constrained black-box optimization problems","authors":"Shuyuan Fan, Xiaodong Hong, Zuwei Liao, Congjing Ren, Yao Yang, Jingdai Wang, Yongrong Yang","doi":"10.1002/aic.18715","DOIUrl":"https://doi.org/10.1002/aic.18715","url":null,"abstract":"Constrained black-box optimization (CBBO) has become increasingly popular in process optimization. Algorithms often encounter difficulties in balancing feasibility and optimality, with some even failing to find feasible solutions. This article introduces an adaptive sampling Bayesian optimization algorithm (ASBO) to solve CBBO problems effectively. The developed infill sampling criterion introduces an adaptive acquisition function to facilitate multistage optimization. The three stages consist of exploring feasible solutions, balancing feasibility and optimality, and optimizing. Furthermore, a hybrid method is proposed for complex problems. A gradient-based optimizer (GBO) aids in constructing the posterior distribution, thereby enhancing the identification of feasible regions. Additionally, four auxiliary strategies are developed to enhance stability and accelerate convergence in simulation-based optimization. The effectiveness of the proposed algorithm is validated through three benchmark problems and two process optimization cases. Comparative analysis against state-of-the-art algorithms demonstrates better iteration efficiency of ASBO algorithms.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"34 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142917653","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

An electro-metathesis membrane reactor for directly producing LiOH with purity exceeding 99.5% 用于直接生产纯度超过99.5%的LiOH的电分解膜反应器

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-12-31 DOI: 10.1002/aic.18705

Xiao Liu, Guangzhong Cao, Songhui Wang, Weixiang Shan, Tianle Gu, Zhaoming Liu, Chenxiao Jiang, Tongwen Xu

{"title":"An electro-metathesis membrane reactor for directly producing LiOH with purity exceeding 99.5%","authors":"Xiao Liu, Guangzhong Cao, Songhui Wang, Weixiang Shan, Tianle Gu, Zhaoming Liu, Chenxiao Jiang, Tongwen Xu","doi":"10.1002/aic.18705","DOIUrl":"https://doi.org/10.1002/aic.18705","url":null,"abstract":"Producing battery-grade lithium hydroxide (LiOH) from lithium salts is essential for high-performance lithium-ion batteries. Traditional causticization methods, which involve metathesis reactions between lithium salts (such as Li2CO3, Li2SO4, or LiCl) and bases (such as Ca(OH)2, NaOH, or Ba(OH)2), often result in low concentrations of LiOH and significant lithium loss dragged by CaCO3/Na2SO4/BaSO4 as solid waste. To address these challenges, we developed the “electro-metathesis” membrane reactor, which integrates the metathesis reaction with an electro-membrane system based on ion-distillation technology. This technology enhances the causticization process by regulating ion migration through ion exchange membranes and blocking impurity ions stage by stage, improving lithium recovery to 84.4% and achieving high-purity (99.6%) LiOH products. Furthermore, the process cost is 3.32 $/kg LiOH, which is lower than traditional causticization processes. This research highlights the advantages of the “electro-metathesis” membrane reactor in process efficiency, product quality, and cost management, showing strong potential for industrial applications.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"44 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142905571","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

Experimental study and numerical simulation of liquid–liquid dispersions in micro-impinging jet mixers 微冲击射流混合器液液分散的实验研究与数值模拟

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-12-30 DOI: 10.1002/aic.18720

Bin Wu, Lin Chen, Yanchun Fan, Huidong Zheng, Fuweng Zhang

引用次数: 0

Confined water accelerated alkene epoxidation inside channels of Ti-beta zeolite 密闭水加速钛沸石通道内烯烃环氧化

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-12-28 DOI: 10.1002/aic.18726

Dong Lin, Xiuhui Zheng, Ze Zong, Yang Xu, Qiuming He, Zhe Ma, De Chen, Chaohe Yang, Xiang Feng

{"title":"Confined water accelerated alkene epoxidation inside channels of Ti-beta zeolite","authors":"Dong Lin, Xiuhui Zheng, Ze Zong, Yang Xu, Qiuming He, Zhe Ma, De Chen, Chaohe Yang, Xiang Feng","doi":"10.1002/aic.18726","DOIUrl":"https://doi.org/10.1002/aic.18726","url":null,"abstract":"Comprehensive mechanistic explorations and profound understandings of the interactions between water molecules and active intermediates harbors tremendous significance in the field of zeolite catalysis. Herein, we envision a strategy to accelerate alkene epoxidation reactions (e.g., 1-pentene, 1-hexene, cyclohexene, cyclooctene) with preformed H2O2 inside confined channels of Ti-beta by water molecules. Combined with in situ UV–vis, kinetic experiments, and DFT calculations, it is found that keen control of water molecules could effectively enhance H2O2 adsorption and stabilize crucial oxygen intermediates (Ti-OOH) by hydrogen bonding interactions. As a result, the yields of corresponding epoxides increased up to 20.5%. However, excessive water clusters construct a dense and robust hydrogen-bond network, blocking the activation of reactants and further epoxidation over Ti sites. This finding not only sheds new light on the mechanism of water-accelerated reaction, but also opens up new opportunities to enhance the efficiency of industrial epoxidation reactions involving H2O2.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"114 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142888552","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 approach to defining a unit cell for fluid dynamics in packed beds with low tube-to-particle diameter ratio 一种在低管粒直径比充填床中定义流体动力学单元的系统方法

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-12-26 DOI: 10.1002/aic.18707

Dalia N. Dorantes-Landa, Alberto Hernandez-Aguirre, Luis Ricardez-Sandoval, Sergio Huerta-Ochoa, Carlos O. Castillo-Araiza

引用次数: 0

Bipolar membrane electrodialysis with isolation chamber enables high-purity LiOH production with ordinary membranes 带隔离室的双极膜电渗析可以用普通膜生产高纯度的LiOH

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-12-24 DOI: 10.1002/aic.18674

Duyi He, Weicheng Fu, Zihao Wang, Junying Yan, Huangying Wang, Ruirui Li, Baoying Wang, Xiaochun Chen, Yaoming Wang, Tongwen Xu

引用次数: 0

Channel–molecule attraction mediated molecule transport in confined nanochannels of COF membranes for nanofiltration 通道-分子吸引介导的COF膜纳米通道内的分子运输

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-12-24 DOI: 10.1002/aic.18719

Ruilong Li, Yongjian Yang, Jingjing Chen, Chongchong Chen, Wenpeng Li, Xiaoli Wu, Jingtao Wang

{"title":"Channel–molecule attraction mediated molecule transport in confined nanochannels of COF membranes for nanofiltration","authors":"Ruilong Li, Yongjian Yang, Jingjing Chen, Chongchong Chen, Wenpeng Li, Xiaoli Wu, Jingtao Wang","doi":"10.1002/aic.18719","DOIUrl":"https://doi.org/10.1002/aic.18719","url":null,"abstract":"Porous membranes, a type of material widely used in nanofiltration, are confronted with the limitation that the influence of channel–molecule interactions on transport behaviors has yet been investigated in detail. Herein, covalent organic framework membranes with adjustable pore sizes (⁓ 2.5 nm and ⁓ 1.2 nm) and chemical groups (−F, −OH, and −CO−) were prepared by interfacial polymerization. We demonstrate that strong channel–molecule attraction induces the formation of stable solvent layers along nanochannel walls, which protect central molecules from the attraction of chemical groups. Significantly, stable solvent layers permit fast transport of ethanol (245.6 L m−2 h−1 bar−1) with reactive black (RB) rejection of 96%. Likely, for membranes with weak channel–molecule attraction, no solvent layers are formed and molecules also transport smoothly. Interestingly, membranes that exhibit moderate channel–molecule attraction exert metastable solvent layers, thus displaying high transport resistance. This hindrance effect on molecule transport becomes more pronounced in smaller nanochannels.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"65 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142880175","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

Extraction of valuable metals from waste Li-ion batteries by deep eutectic solvent: Experimental and mechanism analysis 用深共晶溶剂萃取废锂离子电池中有价金属：实验及机理分析

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-12-24 DOI: 10.1002/aic.18714

Yan Zhang, Hai Liu, Ruoyu Hu, Yan Zhou, Shuai Wang, Jianguang Qi, Yinglong Wang, Zhaoyou Zhu, Guoxuan Li

引用次数: 0

Carbon-zero co-production of hydrogen and chemicals boosted by directional hydrogen spillover via terminated interface 通过终止界面的定向氢气溢出促进氢和化学品的零碳联合生产

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-12-23 DOI: 10.1002/aic.18713

Xuanlin Guo, Huifang Wu, Yang Zhao, Lirong Zheng, Qian Wang, Dianqing Li, Junting Feng

{"title":"Carbon-zero co-production of hydrogen and chemicals boosted by directional hydrogen spillover via terminated interface","authors":"Xuanlin Guo, Huifang Wu, Yang Zhao, Lirong Zheng, Qian Wang, Dianqing Li, Junting Feng","doi":"10.1002/aic.18713","DOIUrl":"https://doi.org/10.1002/aic.18713","url":null,"abstract":"Acceptorless dehydrogenation of biomass-alcohol provides an appealing route for co-producing green H2 and high-value chemicals. However, the sluggish H species binding step severely inhibits reaction equilibrium and cause C-C cleavage. Herein, we propose a unique directional H spillover strategy driven by controlling electron transport direction via constructing Au-O-Cu-O-Mg/Al interfacial structure, to allow H species transfer from O-H dehydrogenation Cu2+ site to C-H dehydrogenation Au site to promote H2 formation. The structure that each Cu precisely terminated by Mg/Al is inherited from layered double hydroxides with orderly dispersed atom arrangement. Comprehensive studies substantiate that the unreducible Mg2+/Al3+ blocks electron transfer toward support, whereas Au-O-Cu electronic interaction drives H spillover from the support to Au. The Au/CuMgAl catalyst demonstrated unprecedentedly high glycerol dehydrogenation activity, showing 3–10 times turnover frequency (1.18 × 104 h−1) than other biomass-derived H2 formation system, co-producing lactic acid with selectivity up to 98.8%.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"2 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142874865","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