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Flexible design of renewable methanol production systems based on regulation strategy of operating windows 基于操作窗口调控策略的可再生甲醇生产系统柔性设计
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2025-03-12 DOI: 10.1002/aic.18811
Xinshan Kong, Xin Gao, Lixia Kang, Yongzhong Liu
{"title":"Flexible design of renewable methanol production systems based on regulation strategy of operating windows","authors":"Xinshan Kong, Xin Gao, Lixia Kang, Yongzhong Liu","doi":"10.1002/aic.18811","DOIUrl":"https://doi.org/10.1002/aic.18811","url":null,"abstract":"Carbon dioxide hydrogenation to methanol is one of the viable ways for large-scale consumption of renewable energy. The intermittent and stochastic character of renewable energy leads to frequent changes in the operating conditions of production systems. Conventional design that focuses on the economic performance leads to rigid operating conditions and narrow operating windows of the production systems, which make it difficult to adapt to frequent changes in production capacity. It is imperative to expand the operating window of the renewable methanol production systems (RMPS) to adapt to the frequent changes in production capacity. In this work, the flexible design and regulation strategies for the RMPS are proposed, which expand the operating windows of the production systems at a low capital investment by quantitatively analyzing the relationships between process parameters and operating constraints of key equipment. The results indicate that, compared to economically optimized production systems, the proposed design method broadens the operating window of the RMPS by 54.02% with only a 22.38% increase in investment cost. The operating window can further be expanded by 113.29% with the addition of small-scale equipment at the investment cost increasing by 117.02%. The effectiveness of the proposed method and strategies is analyzed and discussed through specific application scenarios. The proposed approach improves the flexibility of the RMPS, providing an analytical basis for the flexible design and operation of chemical production systems driven by renewable energy.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"68 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143599140","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 impact of operating conditions on lithium‐ion battery performance using in silico design of experiments 用硅片实验设计分析操作条件对锂离子电池性能的影响
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 1.5 m高碱性水电解槽气含率特性的实验与理论研究
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 一种通过在超声微反应器中引入“预空化”阶段来加强流体混合的新方法
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
Predicting the solvent effect on crystal morphology via quantum mechanical methods 用量子力学方法预测溶剂对晶体形态的影响
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
Tailoring bubble size through acoustic-assisted microbubble generation 通过声学辅助微泡产生来定制气泡大小
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
Concentration distribution and mass transfer process intensification of single droplet in swirl flow field 旋流场中单液滴浓度分布与传质过程强化
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 用深度共晶溶剂分离乙醇-乙酸甲酯共沸混合物时的位阻分析
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
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