发布求助
文献互助 智能选刊 最新文献

AIChE Journal最新文献

筛选
英文 中文
Analysis of impact of operating conditions on lithium‐ion battery performance using in silico design of experiments
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2025-03-10 DOI: 10.1002/aic.18815
Arun Muthukkumaran, Raghunathan Rengaswamy
{"title":"Analysis of impact of operating conditions on lithium‐ion battery performance using in silico design of experiments","authors":"Arun Muthukkumaran, Raghunathan Rengaswamy","doi":"10.1002/aic.18815","DOIUrl":"https://doi.org/10.1002/aic.18815","url":null,"abstract":"Lithium‐ion battery technology has established itself as a reliable energy storage mechanism over the past decade. Nevertheless, it faces challenges, including safety concerns, prolonged charging duration, and capacity fade. A significant cause of these issues is the degradation reactions within the battery, which are influenced by conditions such as ambient temperature, charging rate, and voltage. In order to understand the performance of lithium‐ion batteries at different operating conditions, a reaction engineering‐based electrothermal battery model was developed. Design of experiments (DoE) methodology was employed to plan and analyze in silico experiments. This approach modeled battery degradation parameters based on operating conditions, enhancing the understanding of their impact on battery health and facilitating the identification of optimal operating parameters. Results showed that the model could generalize for different lithium‐ion battery systems, and the DoE approach provided insights into the performance of battery systems under various operating conditions.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"122 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143583001","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 and theoretical study on the gas holdup feature in a 1.5-m tall alkaline water electrolytic cell
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2025-03-08 DOI: 10.1002/aic.18814
Hao Zhang, Run Zhang, Zhengjun Chen, Fang Yuan, Qiang Yang, Bo Liu
{"title":"Experimental and theoretical study on the gas holdup feature in a 1.5-m tall alkaline water electrolytic cell","authors":"Hao Zhang, Run Zhang, Zhengjun Chen, Fang Yuan, Qiang Yang, Bo Liu","doi":"10.1002/aic.18814","DOIUrl":"https://doi.org/10.1002/aic.18814","url":null,"abstract":"Gas–liquid two-phase flow in alkaline water electrolysis critically influences current density and efficiency, yet quantitative insights remain limited. This work examines gas holdup and bubble size distribution in a custom-designed 1.5-m high-electrolytic cell, mimicking an industrial press-filter design. Results reveal that gas holdup increases with cell height and current density due to cumulative gas production, while higher electrolyte flow velocity reduces holdup by accelerating bubble transport. The average electrolytic bubble size d<sub>43</sub> evolves significantly from ~100 μm near the bottom to ~300 μm at the top of the cell, driven by coalescence and influenced by electrolysis current. A one-dimensional drift-flux model identified cell height, current density, electrolyte circulation rate, and bubble size as critical determinants of gas holdup. Theoretical predictions demonstrate that increasing d<sub>43</sub> from 130 to 270 μm can halve gas holdup, highlighting bubble size regulation as a key strategy for reducing gas holdup to enhance electrolyzer performance.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"212 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143575479","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 novel approach to intensify fluid mixing by introducing a “pre-cavitation” stage in an ultrasonic microreactor
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2025-03-08 DOI: 10.1002/aic.18810
Lixue Liu, Shuainan Zhao, Chaoqun Yao, Guangwen Chen
{"title":"A novel approach to intensify fluid mixing by introducing a “pre-cavitation” stage in an ultrasonic microreactor","authors":"Lixue Liu, Shuainan Zhao, Chaoqun Yao, Guangwen Chen","doi":"10.1002/aic.18810","DOIUrl":"https://doi.org/10.1002/aic.18810","url":null,"abstract":"Generation and oscillation of cavitation bubbles are key factors to intensify fluid mixing in ultrasonic microreactors (USMRs). This work proposed a strategy of introducing a “pre-cavitation” stage in a novel USMR (I-USMR), which facilitates accelerating the cavitation and fluid mixing in the mixing zone. The cavitation phenomenon and mixing characteristics in the I-USMR were investigated. Two distinct cavitation bubble patterns, bubble array and bubble cluster, were identified and mapped using dimensionless parameters. Due to the accelerated development of cavitation, very rapid mixing was achieved in both solvent-antisolvent processes and common aqueous–aqueous mixing, under small Reynolds number (<i>Re</i> &lt; 200). The mixing rate can be improved by several fold compared to previous studies. Finally, this method was applied to synthesize mini-emulsions and PEG-PLGA nanoparticles, both of which were very sensitive to the mixing efficiency, demonstrating excellent mixing performance and great potential in these applications.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"31 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143575480","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
Tailoring bubble size through acoustic-assisted microbubble generation
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2025-03-07 DOI: 10.1002/aic.18802
Min Uk Jung, Yeo Cheon Kim, Ghislain Bournival, Seher Ata
{"title":"Tailoring bubble size through acoustic-assisted microbubble generation","authors":"Min Uk Jung, Yeo Cheon Kim, Ghislain Bournival, Seher Ata","doi":"10.1002/aic.18802","DOIUrl":"https://doi.org/10.1002/aic.18802","url":null,"abstract":"Various bubble generation methods have been developed to produce microbubbles, but current techniques are inadequate for meeting industrial demands for controlling the size of microbubbles accurately. This study aimed to investigate acoustic bubble generation as a potential solution to the demand. Initially, a capillary tube was exposed to a continuous standing wave to control the bubble generation, which resulted in a relatively large bubble size and number. However, the extent of bubble coalescence was high due to the attractive secondary acoustic radiation force (ARF) between vibrating bubbles. Alternatively, a pulsed wave could reduce attractive ARF, thereby simultaneously reducing bubble coalescence and controlling the bubble generation frequency and size. However, this approach compromised the quantity of bubbles generated. The research contributes to the mass production of microbubbles and the strategic control of bubble size to optimize process efficiency.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"37 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143570022","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
Predicting the solvent effect on crystal morphology via quantum mechanical methods
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2025-03-07 DOI: 10.1002/aic.18766
Yongsheng Zhao, Robert Gee, Michael F. Doherty
{"title":"Predicting the solvent effect on crystal morphology via quantum mechanical methods","authors":"Yongsheng Zhao, Robert Gee, Michael F. Doherty","doi":"10.1002/aic.18766","DOIUrl":"https://doi.org/10.1002/aic.18766","url":null,"abstract":"The solvent is the most important external influence on crystal morphology. Correctly interpreting solvent effects is essential to engineer the desired crystal morphology with specific properties. In this study, we propose a method based on quantum mechanical calculated gas phase interaction + Solvation Model Based on Density (SMD) calculated solvation free energy to predict the solvent-modified bond energies to predict the morphology of crystals grown from solvents. We also calculate the solvent-modified bond energy by combining molecular force fields, including the Generalized Amber Force Field and the Coulomb–London–Pauli force field (to calculate gas phase interaction) and SMD (to calculate solvation free energy). We validate these methods using mechanistic models to predict morphologies of four crystals grown from various solvents. Good agreement between the predicted crystal morphologies and the experimental results indicates the reliability of the proposed methods.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"37 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143570023","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
Concentration distribution and mass transfer process intensification of single droplet in swirl flow field
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2025-03-07 DOI: 10.1002/aic.18813
Yuting Xu, Yun Shuai, Zhengliang Huang, Wei Li, Jingdai Wang, Yongrong Yang
{"title":"Concentration distribution and mass transfer process intensification of single droplet in swirl flow field","authors":"Yuting Xu, Yun Shuai, Zhengliang Huang, Wei Li, Jingdai Wang, Yongrong Yang","doi":"10.1002/aic.18813","DOIUrl":"https://doi.org/10.1002/aic.18813","url":null,"abstract":"In the MIBK-acetic and acid-water system, the effects of swirl flow on the flow, concentration distribution, and mass transfer in a single droplet were investigated using high-speed camera, planar laser-induced fluorescence (PLIF), and particle image velocimetry (PIV) methods. The results show that swirl flow can cause forced convection in the droplet, accelerate solute diffusion to the phase interface, promote the uniform concentration distribution in the droplet, and improve the solute concentration at the phase interface. The oscillation of the swirl field makes the flow in the droplet switch between an “N”-shaped flow and a mirrored “N”-shaped flow, ensuring that the high concentration region is always on the same side as the thin boundary layer. Under the synergistic effect of high mass transfer driving force and low mass transfer resistance, the mass transfer of the droplet is significantly enhanced. Finally, the mass transfer coefficient <i>k</i><sub>L</sub> of the droplet is determined, which increases with the swirl intensity and droplet size.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"87 4 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143570021","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
Analysis of steric hindrance in the separation of ethanol–methyl acetate azeotropic mixture using deep eutectic solvents
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2025-03-04 DOI: 10.1002/aic.18808
Wenli Liu, Ruoyu Hu, Yu Wang, Yinglong Wang, Jingwei Yang, Guoxuan Li, Jianguang Qi
{"title":"Analysis of steric hindrance in the separation of ethanol–methyl acetate azeotropic mixture using deep eutectic solvents","authors":"Wenli Liu, Ruoyu Hu, Yu Wang, Yinglong Wang, Jingwei Yang, Guoxuan Li, Jianguang Qi","doi":"10.1002/aic.18808","DOIUrl":"https://doi.org/10.1002/aic.18808","url":null,"abstract":"The separation of azeotropes is of great significance for improving product quality, optimizing production processes, and promoting the development of related technologies. This study used quaternary ammonium salt-based deep eutectic solvents (DESs) to separate azeotropic ethanol and methyl acetate mixtures. COSMO-RS software was used to facilitate the screening of the extractants. The best extractant was selected from 16 hydrogen bond acceptors and 38 hydrogen bond donors, and vapor–liquid equilibrium experiments were subsequently conducted for experimental verification. This experiment demonstrated that the separation of DESs synthesized from alcohol and quaternary ammonium salt chemicals is relatively practical, with the separation effect varying according to the diols employed as hydrogen bond donors. Concurrently, quantitative calculations were employed to conduct a microscopic analysis and elucidate the underlying mechanism of spatial hindrance on the separation performance of ethanol–methyl acetate.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"37 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143538736","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
Highly efficient and mild synthesis of multimetallic metal–organic framework nanoparticles for enhanced oxygen evolution reactions 用于增强氧进化反应的多金属金属有机框架纳米粒子的高效温和合成
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2025-03-03 DOI: 10.1002/aic.18799
Xin-Ran Shi, Sai-nan Guo, Meng Qiao, Jie-Xin Wang
{"title":"Highly efficient and mild synthesis of multimetallic metal–organic framework nanoparticles for enhanced oxygen evolution reactions","authors":"Xin-Ran Shi, Sai-nan Guo, Meng Qiao, Jie-Xin Wang","doi":"10.1002/aic.18799","DOIUrl":"https://doi.org/10.1002/aic.18799","url":null,"abstract":"Multimetallic metal–organic framework (MOF) nanoparticles have been regarded as promising electrocatalysts for the oxygen evolution reaction (OER) due to their small size, porous structure, and synergistic active metal site. However, limitations such as stringent preparation conditions, long reaction times, and low yields restrict their further application. Herein, an instantaneous and continuous approach is proposed to synthesize multimetallic MOF nanoparticles utilizing high gravity technology. With greatly enhanced mixing and mass transfer in the rotating packed bed reactor, the instantaneously synthesized bimetallic/trimetallic MOF nanoparticles show smaller particle sizes, higher surface areas, and greatly enhanced OER performance compared with the corresponding stirred tank reactor products. Density functional theory calculations elucidate the intrinsic activity regulation mechanism of bimetallic MOFs. This study not only proposes an efficient strategy to synthesize multimetallic MOFs for OER but also can achieve scaled-up preparation with ultra-high space–time yield (43,700 kg m<sup>−3</sup> day<sup>−1</sup>), promoting the practical application of MOFs in electrocatalysis.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"15 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143532319","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
Hydrodynamics and mass transfer characteristics of a single microbubble in liquids with different properties 单个微气泡在不同性质液体中的流体力学和传质特性
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2025-03-03 DOI: 10.1002/aic.18787
Su-Hang Cai, Li-Hua Wang, Zhi-Xuan Fan, Yong-Rui Xu, Lan Jiang, Xiang-Sen Wu, Jian-Feng Chen, Yong Luo
{"title":"Hydrodynamics and mass transfer characteristics of a single microbubble in liquids with different properties","authors":"Su-Hang Cai, Li-Hua Wang, Zhi-Xuan Fan, Yong-Rui Xu, Lan Jiang, Xiang-Sen Wu, Jian-Feng Chen, Yong Luo","doi":"10.1002/aic.18787","DOIUrl":"https://doi.org/10.1002/aic.18787","url":null,"abstract":"Microbubbles have great potential in enhancing gas-to-liquid mass transfer. However, there is still a lack of systematic research on how the liquid properties affect the hydrodynamics and mass transfer characteristics of a single microbubble. In this work, the diameter, velocity, and mass transfer of a single microbubble in liquids with different properties were analyzed by using high-speed photograph technology. It was found that the rise velocity was minimally affected by the surfactant but decreased with the increase of liquid viscosity. A new velocity correlation was developed to predict the rise velocities of microbubbles, with deviations within 20%. The addition of surfactants and increasing liquid viscosity both reduce the mass transfer coefficient (<i>k</i><sub>L</sub>) compared to ultrapure water. Conversely, <i>k</i><sub>L</sub> increased by 1.3 to 4.1 times as the reactant concentration increased in chemical absorption. This study provides meaningful data to understand the hydrodynamic behaviors and mass transfer characteristics of microbubbles.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"48 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143532309","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
Microbubble swarm in a HiGee-aided bubble column reactor: Size, gas holdup, and effective interfacial area HiGee 辅助气泡柱反应器中的微气泡群：尺寸、气体容纳量和有效界面面积
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2025-03-03 DOI: 10.1002/aic.18804
Li-Hua Wang, Hai-Long Liao, Liang Zheng, Zhi-Xuan Fan, Hai-Kui Zou, Yong Luo
{"title":"Microbubble swarm in a HiGee-aided bubble column reactor: Size, gas holdup, and effective interfacial area","authors":"Li-Hua Wang, Hai-Long Liao, Liang Zheng, Zhi-Xuan Fan, Hai-Kui Zou, Yong Luo","doi":"10.1002/aic.18804","DOIUrl":"https://doi.org/10.1002/aic.18804","url":null,"abstract":"Microbubble technology is promising for intensifying gas–liquid mass transfer in the bubble column reactor (BCR). The HiGee microbubble generator (HMG), flexibly controlling the microbubble size by adjusting the rotational speed, was developed for the BCR with obvious advantages. However, the hydrodynamics and mass transfer performance of the microbubble swarm generated by HMG in the bubble column were not clear, which hinders its industrial application process. In this work, a HiGee-aided bubble column reactor (HBCR), including an HMG and a bubble column, was proposed and designed. The effects of operating conditions on flow behavior, Sauter mean diameter (<i>d</i><sub>32</sub>), and gas holdup (<i>φ</i><sub><i>G</i></sub>) were studied. A prediction model for gas holdup was established, and the deviation between the predicted and experimental values was within ±15%. Based on <i>d</i><sub>32</sub> and <i>φ</i><sub><i>G</i></sub>, the effective interfacial area in HBCR was calculated as 500–3800 m<sup>2</sup>/m<sup>3</sup>. This study provided fundamental data for the design and scale-up of HBCR.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"34 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143532425","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
首页 上一页 下一页 尾页
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整，为了账户安全，请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们：info@booksci.cn Book学术提供免费学术资源搜索服务，方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：481959085
Book学术官方微信