Bo Wang, Tan Li, Xuhao Xie, Wenbo Zhao, Zhiyong Xu, Yongming Luo
The efficient removal of hydrogen sulfide (H2S) is crucial for clean energy and environmental protection, with amine-based absorption being the mainstream due to its cost-effectiveness and high efficiency. This work designed eight hybrid absorbents using organic diamines and ethylene glycol (EG). Absorption capacity measurements revealed that at 303.15 K and 1 bar, short-chain diamines exhibited ~1 mol/mol, while long-chain ones reached ~2 mol/mol. Notably, the 1,4-butanediamine-EG reached a remarkable capacity of 1.7 mol/mol at 0.2 bar, and the N,N,N′,N′-tetramethyl-1,6-hexanediamine-EG reached 2.06 mol/mol at 1 bar. Absorption capacity positively correlated with diamine chain length, and primary/secondary amines outperformed tertiary amines at low partial pressures. A reaction equilibrium thermodynamic model was established to verify the structure–capacity relationship via parameters like equilibrium constant K. The selectivity of H2S/CO2 was studied. This provides theoretical guidance for H2S absorbent design and industrial applications.
{"title":"Thermodynamic analysis of highly efficient H2S absorption in diamine-ethylene glycol blends","authors":"Bo Wang, Tan Li, Xuhao Xie, Wenbo Zhao, Zhiyong Xu, Yongming Luo","doi":"10.1002/aic.70235","DOIUrl":"https://doi.org/10.1002/aic.70235","url":null,"abstract":"The efficient removal of hydrogen sulfide (H<sub>2</sub>S) is crucial for clean energy and environmental protection, with amine-based absorption being the mainstream due to its cost-effectiveness and high efficiency. This work designed eight hybrid absorbents using organic diamines and ethylene glycol (EG). Absorption capacity measurements revealed that at 303.15 K and 1 bar, short-chain diamines exhibited ~1 mol/mol, while long-chain ones reached ~2 mol/mol. Notably, the 1,4-butanediamine-EG reached a remarkable capacity of 1.7 mol/mol at 0.2 bar, and the <i>N</i>,<i>N</i>,<i>N</i>′,<i>N</i>′-tetramethyl-1,6-hexanediamine-EG reached 2.06 mol/mol at 1 bar. Absorption capacity positively correlated with diamine chain length, and primary/secondary amines outperformed tertiary amines at low partial pressures. A reaction equilibrium thermodynamic model was established to verify the structure–capacity relationship via parameters like equilibrium constant <i>K</i>. The selectivity of H<sub>2</sub>S/CO<sub>2</sub> was studied. This provides theoretical guidance for H<sub>2</sub>S absorbent design and industrial applications.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"48 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146022182","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}
The coordination environment and orbital state of the active sites determine the catalytic performance, and the realization of their rational design is one of the ultimate goals in the research field of catalysis. Here we report an active Fe-based Fischer-Tropsch synthesis catalyst with shorter Fe-C bond tuned by decorating carbon quantum dots (CQDs) for production of value-added C2+ products from CO2 hydrogenation. Different from traditional in-situ formed iron carbide active sites, the shorter Fe-C bond endowed by strengthened electron transfer between Fe species and CQDs boosts CO* protonation and CC bond coupling. This novel active site delivers ultra-high C2+ products selectivity (81.3%) and extremely low CO selectivity (8.8%) at a CO2 conversion of 38.5%, achieving a record-breaking C2+ products yield (28.6%) among the reported results. This work may shed a light on the rational design and optimization of metal carbide-based catalysts for Fischer-Tropsch synthesis of value-added C2+ products and beyond.
{"title":"Short Fe-C bonds boost Fischer-Tropsch catalyst for CO2 to valuable C2+ products","authors":"Xinze Bi, Xudong Yu, Ruosong He, Kaixuan Huo, Yang Wang, Zhaorui Zhang, Zhiang Yuan, Yifan Yan, Wenhang Wang, Yiwu Lu, Qiang Liu, Jieshan Qiu, Noritatsu Tsubaki, Mingbo Wu","doi":"10.1002/aic.70249","DOIUrl":"https://doi.org/10.1002/aic.70249","url":null,"abstract":"The coordination environment and orbital state of the active sites determine the catalytic performance, and the realization of their rational design is one of the ultimate goals in the research field of catalysis. Here we report an active Fe-based Fischer-Tropsch synthesis catalyst with shorter Fe-C bond tuned by decorating carbon quantum dots (CQDs) for production of value-added C<sub>2+</sub> products from CO<sub>2</sub> hydrogenation. Different from traditional in-situ formed iron carbide active sites, the shorter Fe-C bond endowed by strengthened electron transfer between Fe species and CQDs boosts CO* protonation and C<span></span>C bond coupling. This novel active site delivers ultra-high C<sub>2+</sub> products selectivity (81.3%) and extremely low CO selectivity (8.8%) at a CO<sub>2</sub> conversion of 38.5%, achieving a record-breaking C<sub>2+</sub> products yield (28.6%) among the reported results. This work may shed a light on the rational design and optimization of metal carbide-based catalysts for Fischer-Tropsch synthesis of value-added C<sub>2+</sub> products and beyond.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"288 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146044756","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}
Jie Li, Ying Liao, Ming Guo, Yue Pan, Yaqian Li, Xuechao Yang, Yulin Wang, Meiyu Zhang, Mengnan Ma, Xiaobo Chen, Yibin Liu, Hao Yan, Chaohe Yang
Direct dehydrogenation of alcohols to aldehydes is a pivotal transformation in fine chemical synthesis. However, conventional thermal processes often suffer from low efficiency and high energy consumption. Herein, we propose an emerging and sustainable strategy that employs CO2-assisted in situ hydrogen extraction to drive the dehydrogenation of alcohols under mild conditions. Specifically, CO2 as a soft oxidant adsorbs and activates on the Cu–ZnO–Al2O3 composite oxide catalyst surface, generating reactive species (COO*) that selectively abstract hydrogen from the α-C of the alcohol. Combined Langmuir-Hinshelwood kinetic analysis and density functional theory calculations reveal a higher formation rate of the aldehyde product and the lower activation barrier for the key C–H bond activation process under the CO2 atmosphere. As a result, the CO2-assisted dehydrogenation markedly enhances reaction efficiency, achieving a 60.21% conversion of 2-ethylhexanal under a low temperature (240°C), which is nearly twice that observed under the pure N2 atmosphere. This CO2-assisted dehydrogenation strategy in this work exhibits a cooperative catalytic pathway that not only enables efficient aldehyde production but also utilizes CO2 as a chemical resource.
{"title":"CO2-assisted in situ hydrogen extraction for high conversion dehydrogenation of alcohol over Cu–ZnO–Al2O3 catalyst","authors":"Jie Li, Ying Liao, Ming Guo, Yue Pan, Yaqian Li, Xuechao Yang, Yulin Wang, Meiyu Zhang, Mengnan Ma, Xiaobo Chen, Yibin Liu, Hao Yan, Chaohe Yang","doi":"10.1002/aic.70237","DOIUrl":"https://doi.org/10.1002/aic.70237","url":null,"abstract":"Direct dehydrogenation of alcohols to aldehydes is a pivotal transformation in fine chemical synthesis. However, conventional thermal processes often suffer from low efficiency and high energy consumption. Herein, we propose an emerging and sustainable strategy that employs CO<sub>2</sub>-assisted in situ hydrogen extraction to drive the dehydrogenation of alcohols under mild conditions. Specifically, CO<sub>2</sub> as a soft oxidant adsorbs and activates on the Cu–ZnO–Al<sub>2</sub>O<sub>3</sub> composite oxide catalyst surface, generating reactive species (COO*) that selectively abstract hydrogen from the <i>α</i>-C of the alcohol. Combined Langmuir-Hinshelwood kinetic analysis and density functional theory calculations reveal a higher formation rate of the aldehyde product and the lower activation barrier for the key C–H bond activation process under the CO<sub>2</sub> atmosphere. As a result, the CO<sub>2</sub>-assisted dehydrogenation markedly enhances reaction efficiency, achieving a 60.21% conversion of 2-ethylhexanal under a low temperature (240°C), which is nearly twice that observed under the pure N<sub>2</sub> atmosphere. This CO<sub>2</sub>-assisted dehydrogenation strategy in this work exhibits a cooperative catalytic pathway that not only enables efficient aldehyde production but also utilizes CO<sub>2</sub> as a chemical resource.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"63 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146005948","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}
Direct ammonia solid oxide fuel cells (DA-SOFCs) offer a promising route for efficient carbon-free power generation. However, DA-SOFCs still face inherent performance and durability challenges due to ammonia-induced electrode corrosion. Here, built-in catalysts are strategically arranged to enhance ammonia conversion, and their effects are comprehensively studied by combining experiment and multi-physics simulations. The results demonstrate that built-in catalysts shift ammonia decomposition from the anode to the catalyst, increasing ammonia conversion and anode temperature, thus achieving performance comparable to 0.75H2/0.25N2-fueled SOFCs even at low temperatures. A cascade catalysts configuration with stepwise catalytic activity markedly strengthens thermal coupling between the ammonia decomposition and the electro-oxidation, reducing the maximum temperature difference by over 92%. Built-in catalysts are simple to implement and achieve higher electrical efficiency than external catalysts. Moreover, they completely prevent ammonia–electrode contact over a wide temperature range, greatly improving durability. This study yields design guidance for developing high-performance, durable DA-SOFCs.
{"title":"Thermal–electrochemical coupling via cascade catalysts in ammonia-fueled solid oxide fuel cells","authors":"Shuai Chen, Jiacheng You, Tao Li, Yiting Jiang, Chongqi Chen, Huihuang Fang, Yu Luo, Lilong Jiang","doi":"10.1002/aic.70243","DOIUrl":"https://doi.org/10.1002/aic.70243","url":null,"abstract":"Direct ammonia solid oxide fuel cells (DA-SOFCs) offer a promising route for efficient carbon-free power generation. However, DA-SOFCs still face inherent performance and durability challenges due to ammonia-induced electrode corrosion. Here, built-in catalysts are strategically arranged to enhance ammonia conversion, and their effects are comprehensively studied by combining experiment and multi-physics simulations. The results demonstrate that built-in catalysts shift ammonia decomposition from the anode to the catalyst, increasing ammonia conversion and anode temperature, thus achieving performance comparable to 0.75H<sub>2</sub>/0.25N<sub>2</sub>-fueled SOFCs even at low temperatures. A cascade catalysts configuration with stepwise catalytic activity markedly strengthens thermal coupling between the ammonia decomposition and the electro-oxidation, reducing the maximum temperature difference by over 92%. Built-in catalysts are simple to implement and achieve higher electrical efficiency than external catalysts. Moreover, they completely prevent ammonia–electrode contact over a wide temperature range, greatly improving durability. This study yields design guidance for developing high-performance, durable DA-SOFCs.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"39 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146005947","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}
Xudong Liao, Xiangyang Gong, Lei Yang, Jingcai Cheng, Chao Yang
Liquid bridging cylinders are ubiquitous in nature and industrial processes. The morphology and capillary force of these bridges between cylinders are influenced by several factors, including inter-particle spacing, cylinder diameter, liquid volume and wettability. This study combines experimental and Surface Evolver (SE) simulations to systematically investigate the effects of these factors on bridge morphology and capillary force. The results indicate that capillary bridge force decreases as particle spacing increases. Conversely, increasing liquid volume enhances capillary bridge force and induces a reverse morphological transition. For cylinder diameters between 1 and 6 mm, the capillary force increases with increasing particle size. Based on experimental and numerical results, we propose a nonlinear regression model for accurate prediction of capillary force. It exhibits greater generality in predicting capillary bridge forces compared to the Princen model. These findings offer valuable theoretical insights for controlling liquid bridges in relevant engineering and industrial applications.
{"title":"Wetting morphology and capillary force of liquid bridges between parallel cylinders: An experimental and numerical study","authors":"Xudong Liao, Xiangyang Gong, Lei Yang, Jingcai Cheng, Chao Yang","doi":"10.1002/aic.70229","DOIUrl":"https://doi.org/10.1002/aic.70229","url":null,"abstract":"Liquid bridging cylinders are ubiquitous in nature and industrial processes. The morphology and capillary force of these bridges between cylinders are influenced by several factors, including inter-particle spacing, cylinder diameter, liquid volume and wettability. This study combines experimental and Surface Evolver (SE) simulations to systematically investigate the effects of these factors on bridge morphology and capillary force. The results indicate that capillary bridge force decreases as particle spacing increases. Conversely, increasing liquid volume enhances capillary bridge force and induces a reverse morphological transition. For cylinder diameters between 1 and 6 mm, the capillary force increases with increasing particle size. Based on experimental and numerical results, we propose a nonlinear regression model for accurate prediction of capillary force. It exhibits greater generality in predicting capillary bridge forces compared to the Princen model. These findings offer valuable theoretical insights for controlling liquid bridges in relevant engineering and industrial applications.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"195 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146022181","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}
Jnana Sai Jagana, Sreekanth Rajagopalan, Satyajith Amaran, Qi Zhang
Flexibility is a crucial characteristic of industrial systems that face increasing volatilities and is therefore essential to ensure feasible operation under uncertainty. Flexibility is often closely tied to the design of a system, and careful consideration must be taken to understand the trade-off between design cost and operational flexibility. In this work, we introduce a design optimization approach that we call design for flexibility, which incorporates a rigorous measure of flexibility directly into the objective function. We employ adjustable robust optimization to model uncertainty and allow for recourse in operational decisions. Compared to traditional flexibility analysis, the proposed approach can accommodate complex uncertainty sets beyond hyperrectangles as well as multiple flexibility indicators, allowing for a more comprehensive representation of uncertainty. We apply the proposed approach to three case studies, where the results demonstrate its versatility and effectiveness in rigorously evaluating the trade-offs between cost and flexibility when designing industrial systems.
{"title":"Design for flexibility: An adjustable robust optimization approach with decision-dependent uncertainty","authors":"Jnana Sai Jagana, Sreekanth Rajagopalan, Satyajith Amaran, Qi Zhang","doi":"10.1002/aic.70222","DOIUrl":"https://doi.org/10.1002/aic.70222","url":null,"abstract":"Flexibility is a crucial characteristic of industrial systems that face increasing volatilities and is therefore essential to ensure feasible operation under uncertainty. Flexibility is often closely tied to the design of a system, and careful consideration must be taken to understand the trade-off between design cost and operational flexibility. In this work, we introduce a design optimization approach that we call <i>design for flexibility</i>, which incorporates a rigorous measure of flexibility directly into the objective function. We employ adjustable robust optimization to model uncertainty and allow for recourse in operational decisions. Compared to traditional flexibility analysis, the proposed approach can accommodate complex uncertainty sets beyond hyperrectangles as well as multiple flexibility indicators, allowing for a more comprehensive representation of uncertainty. We apply the proposed approach to three case studies, where the results demonstrate its versatility and effectiveness in rigorously evaluating the trade-offs between cost and flexibility when designing industrial systems.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"63 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146005607","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}
Current azeotropic refrigerant R410A has the disadvantage of a high GWP. Thus, a reliable predictive model is necessary to be developed for screening of the alternative refrigerant mixtures with low boiling point. In this work, a database of binary refrigerant azeotropic mixtures is identified by experiments and used to verify the feasibility of using COSMO‐based models to predict the VLE of binary refrigerant mixtures. It contains 1766 compounds, out of which 306 are known as refrigerants. Sixty‐nine binary systems are then selected after excluding the systems containing water and those with incomplete and azeotropic temperatures exceeding 325 K. The COSMO‐based models were tested and found to predict the azeotropic points qualitatively for the binary refrigerant systems. Thus, all the VLE data of binary refrigerant systems in the database can be predicted through the combination of COSMO‐SAC and COSMO‐RS models. Next, three binary azeotropic refrigerant mixtures that could be a potential replacement for R410A were identified and their performance verified through simulation of the refrigeration process.
{"title":"Prediction of binary azeotropes of refrigerant systems through COSMO ‐based models","authors":"Yiqiang Guan, Yuqiu Chen, Peilin Cao, Zhen Song, Xinyan Liu, Rafiqul Gani","doi":"10.1002/aic.70232","DOIUrl":"https://doi.org/10.1002/aic.70232","url":null,"abstract":"Current azeotropic refrigerant R410A has the disadvantage of a high GWP. Thus, a reliable predictive model is necessary to be developed for screening of the alternative refrigerant mixtures with low boiling point. In this work, a database of binary refrigerant azeotropic mixtures is identified by experiments and used to verify the feasibility of using COSMO‐based models to predict the VLE of binary refrigerant mixtures. It contains 1766 compounds, out of which 306 are known as refrigerants. Sixty‐nine binary systems are then selected after excluding the systems containing water and those with incomplete and azeotropic temperatures exceeding 325 K. The COSMO‐based models were tested and found to predict the azeotropic points qualitatively for the binary refrigerant systems. Thus, all the VLE data of binary refrigerant systems in the database can be predicted through the combination of COSMO‐SAC and COSMO‐RS models. Next, three binary azeotropic refrigerant mixtures that could be a potential replacement for R410A were identified and their performance verified through simulation of the refrigeration process.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"45 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146005608","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}
Polyolefin elastomer (POE) is widely used in photovoltaic encapsulation films but suffers from low melt strength, high extrusion energy consumption, and slow cross-linking during melt processing. Incorporating long chain branches (LCBs) offers a promising solution for these issues. In this study, a trace amount of 1,9-decadiene was incorporated into the ethylene/1-octene copolymerization system catalyzed by a metallocene zirconium catalyst, significantly increasing the weight-average molecular (Mw) from 28.5 to 105.8 kDa. Rheological analyses confirmed enhanced zero-shear viscosity and a pronounced decrease in viscosity with increasing frequency, indicating successful LCB formation. The long-chain branch frequency reached 0.0667/1000C, as determined by triple-detection gel permeation chromatography. A kinetic model was established, proposing that the insertion of 1,9-decadiene generated macromonomers with pendant double bonds, which reinserted into ethylene-terminated active sites and continued propagating to form LCBs. The strong consistency agreement between the experimental data and model predictions validated this mechanism.
{"title":"Metallocene-catalyzed long-chain branched POE: Kinetic mechanism and structure–property relationships","authors":"Feng Li, Weifeng Liu, Shiping Zhu, Yin-Ning Zhou, Xueqing Qiu","doi":"10.1002/aic.70214","DOIUrl":"https://doi.org/10.1002/aic.70214","url":null,"abstract":"Polyolefin elastomer (POE) is widely used in photovoltaic encapsulation films but suffers from low melt strength, high extrusion energy consumption, and slow cross-linking during melt processing. Incorporating long chain branches (LCBs) offers a promising solution for these issues. In this study, a trace amount of 1,9-decadiene was incorporated into the ethylene/1-octene copolymerization system catalyzed by a metallocene zirconium catalyst, significantly increasing the weight-average molecular (<i>M</i><sub><i>w</i></sub>) from 28.5 to 105.8 kDa. Rheological analyses confirmed enhanced zero-shear viscosity and a pronounced decrease in viscosity with increasing frequency, indicating successful LCB formation. The long-chain branch frequency reached 0.0667/1000C, as determined by triple-detection gel permeation chromatography. A kinetic model was established, proposing that the insertion of 1,9-decadiene generated macromonomers with pendant double bonds, which reinserted into ethylene-terminated active sites and continued propagating to form LCBs. The strong consistency agreement between the experimental data and model predictions validated this mechanism.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"36 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145993090","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}
Xi-Bao Zhang, Qin Zeng, Xu-Qing Wang, Zheng-Hong Luo
Accurately predicting fluid particle coalescence in turbulence remains challenging due to its inherent randomness and disorder. This study develops an improved turbulence-induced coalescence model for fluid particles that incorporates particle size effect based on full turbulence energy spectrum. The proposed model considers the dynamic response of fluid particles to fluctuating velocity fields and the inertial lag relative to turbulent eddies, deriving a scale-dependent velocity correction that accounts for discrepancies between fluid particles and eddies of comparable size. A comparative analysis of turbulence energy spectrum and velocity correction effects on coalescence behaviors under various conditions is conducted. The model accuracy is validated by comparing predicted bubble size distribution (BSD) with experimental data under different conditions. Moreover, in multiphase systems where turbulence-induced coalescence dominates while wake entrainment-induced coalescence also significantly influences BSD evolution, accurate size predictions can be achieved by combining the present model with our previously developed wake-induced coalescence model.
{"title":"A turbulence-induced coalescence model for fluid particle incorporating particle size effect across full energy spectrum","authors":"Xi-Bao Zhang, Qin Zeng, Xu-Qing Wang, Zheng-Hong Luo","doi":"10.1002/aic.70233","DOIUrl":"https://doi.org/10.1002/aic.70233","url":null,"abstract":"Accurately predicting fluid particle coalescence in turbulence remains challenging due to its inherent randomness and disorder. This study develops an improved turbulence-induced coalescence model for fluid particles that incorporates particle size effect based on full turbulence energy spectrum. The proposed model considers the dynamic response of fluid particles to fluctuating velocity fields and the inertial lag relative to turbulent eddies, deriving a scale-dependent velocity correction that accounts for discrepancies between fluid particles and eddies of comparable size. A comparative analysis of turbulence energy spectrum and velocity correction effects on coalescence behaviors under various conditions is conducted. The model accuracy is validated by comparing predicted bubble size distribution (BSD) with experimental data under different conditions. Moreover, in multiphase systems where turbulence-induced coalescence dominates while wake entrainment-induced coalescence also significantly influences BSD evolution, accurate size predictions can be achieved by combining the present model with our previously developed wake-induced coalescence model.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"144 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145993093","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}
Achieving ultra‐rapid and high‐efficiency liquid–liquid extraction with minimal energy consumption remains a significant challenge in the chemical separation process, especially for separating substances in demanding environments. This challenge is addressed by the development of a novel oscillating feedback microreactor (OFM) equipped with a multi‐orifice pre‐dispersion stage (i.e., MOFM). The MOFM's distinctive structural design ingeniously combines pre‐dispersion (through microporous inlets) and chaotic droplet fragmentation (through OFM structure). Computational fluid dynamics simulations reveal that three chaotic secondary flows (feedback, vortex, and oscillation) are effectively generated to enhance liquid–liquid dispersion and mass transfer within MOFM. Meanwhile, experimental results demonstrate extraction efficiencies approaching 100% within millisecond residence times, representing a 54% improvement in efficiency and a 111% increase in mass transfer coefficient compared to conventional designs. Predictive models for pressure drop and mass transfer coefficient, validated against experimental data, provide a robust theoretical foundation for the design and optimization of next‐generation chaotic microreactors.
{"title":"Achieving ultra‐rapid liquid–liquid extraction: Introducing a novel “pre‐dispersion” stage within a chaotic microreactor","authors":"Qi He, Xiong Yu, Han‐Xue Jiang, Ting‐Liang Xie, Shuang‐Feng Yin","doi":"10.1002/aic.70226","DOIUrl":"https://doi.org/10.1002/aic.70226","url":null,"abstract":"Achieving ultra‐rapid and high‐efficiency liquid–liquid extraction with minimal energy consumption remains a significant challenge in the chemical separation process, especially for separating substances in demanding environments. This challenge is addressed by the development of a novel oscillating feedback microreactor (OFM) equipped with a multi‐orifice pre‐dispersion stage (i.e., MOFM). The MOFM's distinctive structural design ingeniously combines pre‐dispersion (through microporous inlets) and chaotic droplet fragmentation (through OFM structure). Computational fluid dynamics simulations reveal that three chaotic secondary flows (feedback, vortex, and oscillation) are effectively generated to enhance liquid–liquid dispersion and mass transfer within MOFM. Meanwhile, experimental results demonstrate extraction efficiencies approaching 100% within millisecond residence times, representing a 54% improvement in efficiency and a 111% increase in mass transfer coefficient compared to conventional designs. Predictive models for pressure drop and mass transfer coefficient, validated against experimental data, provide a robust theoretical foundation for the design and optimization of next‐generation chaotic microreactors.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"33 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145962130","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}
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