Hanqiao Che, Zhihao Wang, Shuai Wang, Kun Li, Yuanhe Yue, Zhaohua Jiang
Raschig rings are typically tubular in shape and are widely seen in packed beds across diverse chemical and thermal engineering processes. Owing to their intricate geometry and packing arrangement, the internal flow and fluid–solid interactions remain poorly understood. This study employs particle-resolved computational fluid dynamics (PR-CFD) coupled with the discrete element method (PR-CFD–DEM) to investigate these phenomena with unprecedented numerical resolution. The PR-CFD–DEM integrates a glued-sphere DEM model and a workflow for extracting particle-scale variables. The results show that the orientation of the Raschig ring, which is mainly governed by its length, together with its wall thickness, strongly affects the fluid velocity distribution, as well as the fluid–ring interaction forces. Moreover, the fluid tends to flow preferentially through the interstitial spaces instead of the inner channel regions of the rings. The findings offer deep insights into the fluid flow mechanisms governing Raschig ring packed-bed systems.
{"title":"Deep insights into fluid flow structures in Raschig ring packed beds via particle-resolved CFD–DEM","authors":"Hanqiao Che, Zhihao Wang, Shuai Wang, Kun Li, Yuanhe Yue, Zhaohua Jiang","doi":"10.1002/aic.70241","DOIUrl":"https://doi.org/10.1002/aic.70241","url":null,"abstract":"Raschig rings are typically tubular in shape and are widely seen in packed beds across diverse chemical and thermal engineering processes. Owing to their intricate geometry and packing arrangement, the internal flow and fluid–solid interactions remain poorly understood. This study employs particle-resolved computational fluid dynamics (PR-CFD) coupled with the discrete element method (PR-CFD–DEM) to investigate these phenomena with unprecedented numerical resolution. The PR-CFD–DEM integrates a glued-sphere DEM model and a workflow for extracting particle-scale variables. The results show that the orientation of the Raschig ring, which is mainly governed by its length, together with its wall thickness, strongly affects the fluid velocity distribution, as well as the fluid–ring interaction forces. Moreover, the fluid tends to flow preferentially through the interstitial spaces instead of the inner channel regions of the rings. The findings offer deep insights into the fluid flow mechanisms governing Raschig ring packed-bed systems.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"31 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135351","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}
Zhuhang Shao, Dongzhen Lu, Xinying Wang, Hao Wu, YiRu Zhou, Yaojiang Yu, Haojie Li, Lang Liu, Yuhao Du, Xintao Zhang, Yingqiang Wu, Yida Deng, Yunyong Li
Rational design of efficient dual-heterostructure electrocatalysts and their mechanistic understanding of interfacial interactions for Li-S batteries remain challenging. This work develops NbN/NbB2/MXene dual-heterostructure catalysts via a novel nitrogen-assisted boron-thermal reduction strategy. This design creates dual heterointerface with an electron-transport interface and an active-catalytic interface. These heterointerfaces drive an interfacial electric field effect and regulate p-d-p electron coupling of the B-Nb-N interface, which accelerates electron/Li+ transfer, lowers activation energy, and reduces the Gibbs free energy of the rate-determining step, thereby boosting sulfur redox kinetics. The S/NbN/NbB2/MXene cathode achieves a high initial capacity of 1515.0 mAh g−1 at 0.1 C and excellent stability (72.5% retention after 1000 cycles at 5.0 C). Even under high sulfur loading (6.0 mg cm−2) and lean-electrolyte conditions, it delivers a large areal capacity of 5.55 mAh cm−2, and the pouch cell exhibits 931 mAh g−1. This work deciphers the atomic-level synergy of dual-heterointerfaces for high-performance Li-S electro-catalysts.
合理设计高效的双异质结构电催化剂及其对锂硫电池界面相互作用机理的理解仍然具有挑战性。本工作通过一种新的氮辅助硼热还原策略制备了NbN/NbB2/MXene双异质结构催化剂。该设计创建了具有电子传递界面和活性催化界面的双异质界面。这些异质界面驱动了界面电场效应，调节了B-Nb-N界面的p-d-p电子耦合，加速了电子/Li+的转移，降低了活化能，降低了速率决定步骤的吉布斯自由能，从而提高了硫氧化还原动力学。S/NbN/NbB2/MXene阴极在0.1 C下具有1515.0 mAh g−1的高初始容量和优异的稳定性（在5.0 C下循环1000次后保持72.5%）。即使在高硫负载（6.0 mg cm−2）和稀薄电解质条件下，它也能提供5.55 mAh cm−2的大面积容量，而袋状电池的面积容量为931 mAh g−1。这项工作破译了高性能锂硫电催化剂的双异质界面的原子级协同作用。
{"title":"Interfacial electric field and p-d-p electron coupling of dual-heterostructure catalysts for boosting Li-S chemistry","authors":"Zhuhang Shao, Dongzhen Lu, Xinying Wang, Hao Wu, YiRu Zhou, Yaojiang Yu, Haojie Li, Lang Liu, Yuhao Du, Xintao Zhang, Yingqiang Wu, Yida Deng, Yunyong Li","doi":"10.1002/aic.70242","DOIUrl":"https://doi.org/10.1002/aic.70242","url":null,"abstract":"Rational design of efficient dual-heterostructure electrocatalysts and their mechanistic understanding of interfacial interactions for Li-S batteries remain challenging. This work develops NbN/NbB<sub>2</sub>/MXene dual-heterostructure catalysts via a novel nitrogen-assisted boron-thermal reduction strategy. This design creates dual heterointerface with an electron-transport interface and an active-catalytic interface. These heterointerfaces drive an interfacial electric field effect and regulate p-d-p electron coupling of the B-Nb-N interface, which accelerates electron/Li<sup>+</sup> transfer, lowers activation energy, and reduces the Gibbs free energy of the rate-determining step, thereby boosting sulfur redox kinetics. The S/NbN/NbB<sub>2</sub>/MXene cathode achieves a high initial capacity of 1515.0 mAh g<sup>−1</sup> at 0.1 C and excellent stability (72.5% retention after 1000 cycles at 5.0 C). Even under high sulfur loading (6.0 mg cm<sup>−2</sup>) and lean-electrolyte conditions, it delivers a large areal capacity of 5.55 mAh cm<sup>−2</sup>, and the pouch cell exhibits 931 mAh g<sup>−1</sup>. This work deciphers the atomic-level synergy of dual-heterointerfaces for high-performance Li-S electro-catalysts.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"45 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135358","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 cavity zone of rotating packed beds (RPBs) contributed to mass transfer but was scarcely utilized during process intensifications. This work installed a static single-layer stainless steel wire mesh (SSM) in the cavity zone of RPB to reuse liquid kinetic energy by an impaction process, followed by investigations of impaction characteristics. High-speed photography observed two actions of interception and dispersion and four typical interaction modes of one-ligament dispersion, two-ligament dispersion, unimpeded droplet passage, and droplet adhesion during impaction. Probing indicated that the surface hydrophobic modification weakened interception and enhanced dispersion, reducing the interception rate from 17.7%–49.6% to 1.52%–10.4% and daughter droplet diameter from 0.398–0.701 mm to 0.385–0.643 mm. A gas–liquid interfacial area model was developed in the cavity and verified via the CO2 absorption experiment, revealing that the hydrophobic SSM increased the total interfacial area by 49.3% compared to no SSM in RPB's cavity.
{"title":"Liquid impaction on a static wire mesh in the cavity zone of rotating packed bed: Gas–liquid interfacial area modeling","authors":"Yi-Hang Xu, Han-Zhuo Xu, Yan-Bin Li, Ming Tian, Yong Luo, Guang-Wen Chu, Jian-Feng Chen","doi":"10.1002/aic.70271","DOIUrl":"https://doi.org/10.1002/aic.70271","url":null,"abstract":"The cavity zone of rotating packed beds (RPBs) contributed to mass transfer but was scarcely utilized during process intensifications. This work installed a static single-layer stainless steel wire mesh (SSM) in the cavity zone of RPB to reuse liquid kinetic energy by an impaction process, followed by investigations of impaction characteristics. High-speed photography observed two actions of interception and dispersion and four typical interaction modes of one-ligament dispersion, two-ligament dispersion, unimpeded droplet passage, and droplet adhesion during impaction. Probing indicated that the surface hydrophobic modification weakened interception and enhanced dispersion, reducing the interception rate from 17.7%–49.6% to 1.52%–10.4% and daughter droplet diameter from 0.398–0.701 mm to 0.385–0.643 mm. A gas–liquid interfacial area model was developed in the cavity and verified via the CO<sub>2</sub> absorption experiment, revealing that the hydrophobic SSM increased the total interfacial area by 49.3% compared to no SSM in RPB's cavity.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"8 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146095533","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}
Wanlong Zhao, Yinfeng He, Yi Nie, Xiaoyang Wei, Yuanyuan Shao, Dongbing Li, Jesse Zhu
Gas–particle interactions are fundamental to fluidized bed theory and computational fluid dynamics (CFD) simulations, yet hindered by inherent structural instability. This study pioneers a novel method using high-fidelity 3D printing to manufacture stable fluidization structures (uniform, clusters, bubbles) with controlled solids holdup (εs, 0–0.65), particle diameter (dp, 40–2000 μm), and geometries. Intrinsic pressure drops are measured via a custom experimental system, enabling drag coefficient quantification through energy balance. Validation against fixed beds (high εs) and liquid-particle systems (medium/low εs) confirms <5% εs error and ±8% drag coefficient accuracy. The method can potentially be applied to resolve long-standing discrepancies in gas–particle interaction models (e.g., drag variance >118×), advance fluidization theories, and enable precise CFD optimization of fluidized beds.
{"title":"A novel method to quantify gas–particle interactions in fluidized beds using 3D-printed fluidization structures","authors":"Wanlong Zhao, Yinfeng He, Yi Nie, Xiaoyang Wei, Yuanyuan Shao, Dongbing Li, Jesse Zhu","doi":"10.1002/aic.70268","DOIUrl":"https://doi.org/10.1002/aic.70268","url":null,"abstract":"Gas–particle interactions are fundamental to fluidized bed theory and computational fluid dynamics (CFD) simulations, yet hindered by inherent structural instability. This study pioneers a novel method using high-fidelity 3D printing to manufacture stable fluidization structures (uniform, clusters, bubbles) with controlled solids holdup (<i>ε</i><sub>s</sub>, 0–0.65), particle diameter (<i>d</i><sub>p</sub>, 40–2000 μm), and geometries. Intrinsic pressure drops are measured via a custom experimental system, enabling drag coefficient quantification through energy balance. Validation against fixed beds (high <i>ε</i><sub>s</sub>) and liquid-particle systems (medium/low <i>ε</i><sub>s</sub>) confirms <5% <i>ε</i><sub>s</sub> error and ±8% drag coefficient accuracy. The method can potentially be applied to resolve long-standing discrepancies in gas–particle interaction models (e.g., drag variance >118×), advance fluidization theories, and enable precise CFD optimization of fluidized beds.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"955-959 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146095534","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}
Qiang Ju, Yanqiang Cao, Ting Hu, Hailing Huo, Xinxin Wang, Xuan Liu, Tongyu Wang, Liang Zhang, Erjun Kan, Ang Li
The design of the catalytic center that facilitates electron accumulation and CO2 activation is central to enhancing the efficiency and selectivity of photocatalytic CO2 reduction reactions. Here, a novel quantum tunneling-assisted catalytic center is constructed based on an architecture comprising an ultrathin MgO film coated on Pt nanoparticles supported on a TiO2 substrate. This design not only increases electron concentration at the surface active sites but also optimizes surface properties to promote CO2 activation. As a result, the catalyst achieves a CH4 selectivity of up to 93.6%, representing a significant advancement in CO2-to-fuel conversion. Mechanistic investigations from in situ Fourier-transform infrared spectroscopy and density functional theory calculations reveal that the MgO surface, which effectively adsorbs CO2 molecules, exhibits tunable selectivity toward *CHO formation and CO desorption under varying electron concentrations. This work provides new insight for the development of advanced catalytic centers for CO2 conversion.
{"title":"Catalytic center with electrons and molecules enrichment based on quantum tunneling for CO2 photoreduction","authors":"Qiang Ju, Yanqiang Cao, Ting Hu, Hailing Huo, Xinxin Wang, Xuan Liu, Tongyu Wang, Liang Zhang, Erjun Kan, Ang Li","doi":"10.1002/aic.70246","DOIUrl":"https://doi.org/10.1002/aic.70246","url":null,"abstract":"The design of the catalytic center that facilitates electron accumulation and CO<sub>2</sub> activation is central to enhancing the efficiency and selectivity of photocatalytic CO<sub>2</sub> reduction reactions. Here, a novel quantum tunneling-assisted catalytic center is constructed based on an architecture comprising an ultrathin MgO film coated on Pt nanoparticles supported on a TiO<sub>2</sub> substrate. This design not only increases electron concentration at the surface active sites but also optimizes surface properties to promote CO<sub>2</sub> activation. As a result, the catalyst achieves a CH<sub>4</sub> selectivity of up to 93.6%, representing a significant advancement in CO<sub>2</sub>-to-fuel conversion. Mechanistic investigations from in situ Fourier-transform infrared spectroscopy and density functional theory calculations reveal that the MgO surface, which effectively adsorbs CO<sub>2</sub> molecules, exhibits tunable selectivity toward *CHO formation and CO desorption under varying electron concentrations. This work provides new insight for the development of advanced catalytic centers for CO<sub>2</sub> conversion.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"218 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146095535","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}
Zhiheng Wang, Ningning Wu, Jiali Huang, Tuo Ji, Han Lin, Liwen Mu, Xiaohua Lu, Jiahua Zhu
Direct synthesis of hydrogen peroxide (DSHP) from H 2 and O 2 is indeed a promising sustainable alternative to the conventional anthraquinone oxidation process, yet achieving high H 2 O 2 productivity and selectivity simultaneously remains a significant challenge. Herein, we designed a diode‐inspired interfacial microenvironment to address this challenge by synchronizing the kinetic relay of the key transport and reaction steps in DSHP. Specifically, this microenvironment was fabricated by grafting hydrophobic silane molecules onto the carbon surface followed by loading palladium nanoparticles. Results indicate that the interfacial microenvironment enables an efficient relay of H 2 dissociation, H 2 O 2 formation and desorption, shutting down the reverse path of the side reaction. Benefiting from this diode‐inspired interfacial design, high H 2 O 2 productivity of 21,647.1 mol kg Pd−1 h −1 and H 2 O 2 selectivity of 93.3% were successfully achieved under ambient conditions. This work demonstrated the critical role of the interfacial microenvironment in regulating the synergy between mass transfer and reaction in heterogeneous reaction.
从h22和o2直接合成过氧化氢（DSHP）确实是传统蒽醌氧化工艺的一种有前途的可持续替代方法，但同时实现高h2o2生产率和选择性仍然是一个重大挑战。在此，我们设计了一个二极管启发的界面微环境，通过同步DSHP中关键传输和反应步骤的动力学继电器来解决这一挑战。具体来说，这种微环境是通过将疏水性硅烷分子接枝到碳表面，然后加载钯纳米粒子来制备的。结果表明，该界面微环境能够有效地实现h2解离、h2o2生成和解吸，关闭副反应的反向路径。得益于这种二极管启发的界面设计，在环境条件下成功地获得了21,647.1 mol kg Pd−1 H−1的高h2o2生产率和93.3%的h2o2选择性。这项工作证明了界面微环境在调节非均相反应中传质与反应协同作用中的关键作用。
{"title":"A diode‐inspired microenvironment enables efficient direct H 2 O 2 synthesis from H 2 and O 2 at ambient conditions","authors":"Zhiheng Wang, Ningning Wu, Jiali Huang, Tuo Ji, Han Lin, Liwen Mu, Xiaohua Lu, Jiahua Zhu","doi":"10.1002/aic.70274","DOIUrl":"https://doi.org/10.1002/aic.70274","url":null,"abstract":"Direct synthesis of hydrogen peroxide (DSHP) from H <jats:sub>2</jats:sub> and O <jats:sub>2</jats:sub> is indeed a promising sustainable alternative to the conventional anthraquinone oxidation process, yet achieving high H <jats:sub>2</jats:sub> O <jats:sub>2</jats:sub> productivity and selectivity simultaneously remains a significant challenge. Herein, we designed a diode‐inspired interfacial microenvironment to address this challenge by synchronizing the kinetic relay of the key transport and reaction steps in DSHP. Specifically, this microenvironment was fabricated by grafting hydrophobic silane molecules onto the carbon surface followed by loading palladium nanoparticles. Results indicate that the interfacial microenvironment enables an efficient relay of H <jats:sub>2</jats:sub> dissociation, H <jats:sub>2</jats:sub> O <jats:sub>2</jats:sub> formation and desorption, shutting down the reverse path of the side reaction. Benefiting from this diode‐inspired interfacial design, high H <jats:sub>2</jats:sub> O <jats:sub>2</jats:sub> productivity of 21,647.1 mol kg <jats:sub>Pd</jats:sub> <jats:sup>−1</jats:sup> h <jats:sup>−1</jats:sup> and H <jats:sub>2</jats:sub> O <jats:sub>2</jats:sub> selectivity of 93.3% were successfully achieved under ambient conditions. This work demonstrated the critical role of the interfacial microenvironment in regulating the synergy between mass transfer and reaction in heterogeneous reaction.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"388 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146071900","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}
Oxygen‐coordinated single atom catalysts (SACs) hold promise for enhancing electrocatalytic performance in oxygen evolution reactions (OER). However, their synthesis remains challenging due to the instability of metal‐oxygen bonds under traditional high‐temperature methods. This difficulty is compounded by the lack of model SACs with well‐defined oxygen coordination, hindering the study of structural evolution during catalysis. Herein we propose a stepwise electrochemical oxidation strategy to synthesize nickel SACs on graphite foil with precisely controlled oxygen coordination numbers. The initial oxygen coordination number significantly influences the structural evolution of these SACs during OER, with partial Ni‐O 5 configurations undergoing reconstruction into clusters, while others maintain atomic dispersion. By establishing a direct correlation between the initial coordination environment and the SACs' dynamic behavior under operational conditions, this study provides a comprehensive framework for understanding and designing adaptive and active OER catalysts.
氧配位单原子催化剂（SACs）有望提高析氧反应（OER）的电催化性能。然而，由于传统高温方法下金属-氧键的不稳定性，它们的合成仍然具有挑战性。由于缺乏具有明确氧配位的SACs模型，这一困难变得更加复杂，阻碍了催化过程中结构演化的研究。本文提出了一种在精确控制氧配位数的石墨箔上合成镍SACs的分步电化学氧化策略。在OER过程中，初始氧配位数显著影响这些SACs的结构演变，部分Ni - O - 5构型重建成簇，而其他的则保持原子弥散。通过建立初始配位环境与sac在操作条件下的动态行为之间的直接关系，本研究为理解和设计自适应和活性OER催化剂提供了一个全面的框架。
{"title":"Electrochemical oxygen coordination engineering of nickel single atoms for enhanced oxygen evolution reactions","authors":"Yuanyuan Li, Huawei Huang, Xiaotong Han, Xinyi Tan, Jianren Wang, Shaofeng Li, Zhibin Liu","doi":"10.1002/aic.70272","DOIUrl":"https://doi.org/10.1002/aic.70272","url":null,"abstract":"Oxygen‐coordinated single atom catalysts (SACs) hold promise for enhancing electrocatalytic performance in oxygen evolution reactions (OER). However, their synthesis remains challenging due to the instability of metal‐oxygen bonds under traditional high‐temperature methods. This difficulty is compounded by the lack of model SACs with well‐defined oxygen coordination, hindering the study of structural evolution during catalysis. Herein we propose a stepwise electrochemical oxidation strategy to synthesize nickel SACs on graphite foil with precisely controlled oxygen coordination numbers. The initial oxygen coordination number significantly influences the structural evolution of these SACs during OER, with partial Ni‐O <jats:sub>5</jats:sub> configurations undergoing reconstruction into clusters, while others maintain atomic dispersion. By establishing a direct correlation between the initial coordination environment and the SACs' dynamic behavior under operational conditions, this study provides a comprehensive framework for understanding and designing adaptive and active OER catalysts.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"7 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146071885","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}
Bastian Oldach, Konrad E. R. Boettcher, Alexander S. Sommer‐Behr, Norbert Kockmann
In porous beds, physical boundaries restrict particle arrangement, leading to inhomogeneous porosity. This paper reports on the porosity profiles that are the result of geometric effects on monodisperse packed beds in cylindrical and cubic arrangements. Special focus is given to the influence of edges and corners in cubic geometries. Three‐dimensional (3D) imaging results show that due to the arrangement of the spherical particles in corners and edges, where adjacent walls meet, maxima and minima in the porosity profile are more pronounced, and that peaks are less frequent than in systems with curved walls. For the porosity profile imposed by edges and corners, there are no notable global maxima or minima, but they show an increased bulk porosity, indicating anisotropic structural effects. To capture these geometric influences, a mathematical model based on an exponential approach is proposed, offering new insights for predicting porosity in systems bounded by both curved and planar walls.
{"title":"3D investigation and modeling of the geometric effects on porosity in packed beds","authors":"Bastian Oldach, Konrad E. R. Boettcher, Alexander S. Sommer‐Behr, Norbert Kockmann","doi":"10.1002/aic.70240","DOIUrl":"https://doi.org/10.1002/aic.70240","url":null,"abstract":"In porous beds, physical boundaries restrict particle arrangement, leading to inhomogeneous porosity. This paper reports on the porosity profiles that are the result of geometric effects on monodisperse packed beds in cylindrical and cubic arrangements. Special focus is given to the influence of edges and corners in cubic geometries. Three‐dimensional (3D) imaging results show that due to the arrangement of the spherical particles in corners and edges, where adjacent walls meet, maxima and minima in the porosity profile are more pronounced, and that peaks are less frequent than in systems with curved walls. For the porosity profile imposed by edges and corners, there are no notable global maxima or minima, but they show an increased bulk porosity, indicating anisotropic structural effects. To capture these geometric influences, a mathematical model based on an exponential approach is proposed, offering new insights for predicting porosity in systems bounded by both curved and planar walls.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"55 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146070562","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}
Yang Ding, Zhenyang Dong, Hailiang Zhou, Kai Li, Wei Guo, Yuhang Wang, Lihao Liu, Zujiang Yi, Zhengbin Zhang, Xing Zhong, Jianguo Wang
Ozonolysis offers a clean and selective route for CC bond cleavage, but conventional processes suffer from ozonide explosion hazards and poor mass transfer. Here, we integrate electrochemical ozone production (EOP) with continuous‐flow microchannel ozonolysis for the safe conversion of steroid substrates. A dual surfactant modified β‐PbO 2 electrocatalyst (β‐PbO 2 ‐CP) in a self‐developed ozone electrolyzer achieved high ozone generation efficiency with over 750 h stability. Precision‐engineered microchannel reactor intensified gas–liquid transfer via microscale bubble dynamics, affording 91.3% conversion and 98.1% selectivity for 17α‐methyltestosterone, which achieved a 33.7‐fold increase in space–time yield vs. batch reactor. Computational fluid dynamics (CFD) simulations revealed electrothermal flow modeling showed 42.6% lower peak temperature with 98.9% prediction accuracy in the ozone electrolyzer and elucidated gas–liquid behavior in microchannel reactor. This integrated platform demonstrates a controlled continuous‐flow approach suitable for pharmaceutical manufacturing, highlighting the potential of coupling EOP with flow chemistry for industrial oxidative processes.
{"title":"Efficient ozonolysis of steroids via electrochemical ozone production coupled with microchannel reactor","authors":"Yang Ding, Zhenyang Dong, Hailiang Zhou, Kai Li, Wei Guo, Yuhang Wang, Lihao Liu, Zujiang Yi, Zhengbin Zhang, Xing Zhong, Jianguo Wang","doi":"10.1002/aic.70230","DOIUrl":"https://doi.org/10.1002/aic.70230","url":null,"abstract":"Ozonolysis offers a clean and selective route for CC bond cleavage, but conventional processes suffer from ozonide explosion hazards and poor mass transfer. Here, we integrate electrochemical ozone production (EOP) with continuous‐flow microchannel ozonolysis for the safe conversion of steroid substrates. A dual surfactant modified β‐PbO <jats:sub>2</jats:sub> electrocatalyst (β‐PbO <jats:sub>2</jats:sub> ‐CP) in a self‐developed ozone electrolyzer achieved high ozone generation efficiency with over 750 h stability. Precision‐engineered microchannel reactor intensified gas–liquid transfer via microscale bubble dynamics, affording 91.3% conversion and 98.1% selectivity for 17α‐methyltestosterone, which achieved a 33.7‐fold increase in space–time yield vs. batch reactor. Computational fluid dynamics (CFD) simulations revealed electrothermal flow modeling showed 42.6% lower peak temperature with 98.9% prediction accuracy in the ozone electrolyzer and elucidated gas–liquid behavior in microchannel reactor. This integrated platform demonstrates a controlled continuous‐flow approach suitable for pharmaceutical manufacturing, highlighting the potential of coupling EOP with flow chemistry for industrial oxidative processes.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"33 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146070560","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}
Ziming Zhao, Yuhan Mei, Shuai Zhao, Yuping Liu, Huan Li
Aqueous dual‐ion batteries (ADIBs) are promising for large‐scale storage but face challenges in a lack of in‐depth understanding of anion intercalation behavior and the difficulty in formulating aqueous electrolytes with a wide electrochemical stability window. Here, we regulate the anion intercalation behavior in graphite cathodes by designing high‐concentration aqueous electrolytes using organic lithium salts (LiTFSI, LiFSI, and LiOTf). A combined experimental and theoretical calculation reveals that the intercalation behavior, including intercalation energy and diffusion barrier, is highly anion‐dependent, identifying TFSI − and FSI − as the anions with the most favorable kinetics and reversibility. Electrolyte optimization, particularly a mixed‐salt system (37m 9LiFSI‐1LiTFSI), expands the electrochemical window beyond 3.1 V and enhances cycling stability. Furthermore, partial water substitution by 12‐crown‐4 ether effectively suppresses hydrogen evolution, boosting the Coulombic efficiency to 90%. This work provides fundamental insights into anion intercalation mechanisms in aqueous media and offers a viable electrolyte design strategy toward high‐voltage ADIBs.
{"title":"Tailoring high‐concentration aqueous electrolytes for enhanced anion intercalation behavior in dual‐ion batteries","authors":"Ziming Zhao, Yuhan Mei, Shuai Zhao, Yuping Liu, Huan Li","doi":"10.1002/aic.70267","DOIUrl":"https://doi.org/10.1002/aic.70267","url":null,"abstract":"Aqueous dual‐ion batteries (ADIBs) are promising for large‐scale storage but face challenges in a lack of in‐depth understanding of anion intercalation behavior and the difficulty in formulating aqueous electrolytes with a wide electrochemical stability window. Here, we regulate the anion intercalation behavior in graphite cathodes by designing high‐concentration aqueous electrolytes using organic lithium salts (LiTFSI, LiFSI, and LiOTf). A combined experimental and theoretical calculation reveals that the intercalation behavior, including intercalation energy and diffusion barrier, is highly anion‐dependent, identifying TFSI <jats:sup>−</jats:sup> and FSI <jats:sup>−</jats:sup> as the anions with the most favorable kinetics and reversibility. Electrolyte optimization, particularly a mixed‐salt system (37m 9LiFSI‐1LiTFSI), expands the electrochemical window beyond 3.1 V and enhances cycling stability. Furthermore, partial water substitution by 12‐crown‐4 ether effectively suppresses hydrogen evolution, boosting the Coulombic efficiency to 90%. This work provides fundamental insights into anion intercalation mechanisms in aqueous media and offers a viable electrolyte design strategy toward high‐voltage ADIBs.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"85 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146070563","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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