{"title":"Reversible adsorption and sieving of trace NH3 from NH3-H2 fuel cells systems using sulfonated porous polydivinylbenzene","authors":"Yongfang Qu, Wentao Zhang, Shouchao Zhong, Linyu Zhuo, Xi Wang, Huihuang Fang, Changkai Lin, Yong Zheng, Fujian Liu, Lilong Jiang","doi":"10.1002/aic.18783","DOIUrl":"https://doi.org/10.1002/aic.18783","url":null,"abstract":"Trace ammonia reversible adsorption and sieving using solid adsorbents present a critical challenge in the practical deployment of ammonia-hydrogen fuel cells. Herein, we design porous polydivinylbenzene (P-PDVB) through one-pot solvothermal polymerization without additional templates. Subsequently, solvent-induced network swelling was performed to achieve deep sulfonation of the P-PDVB using chlorosulfonic acid, resulting in P-PDVB-SO<sub>3</sub>H-x, which possess large specific surface areas, abundant micro-mesoporosity, and high acid site densities. Notably, P-PDVB-SO<sub>3</sub>H-x demonstrate superior performance for the selective capture and sieving of NH<sub>3</sub> from an N<sub>2</sub>/H<sub>2</sub>/NH<sub>3</sub> mixture, outperforming most previously reported NH<sub>3</sub> adsorbents. Thus, P-PDVB-SO<sub>3</sub>H-x can serve as an efficient adsorbent for the selective removal of trace ammonia from ammonia-hydrogen fuel cell systems, significantly improving both the efficiency and longevity of the fuel cells. This work highlights the potential of P-PDVB-SO<sub>3</sub>H-x as a promising candidate for enhancing ammonia-hydrogen fuel cell performance, paving the way for further exploration of advanced adsorbent materials in energy applications.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"79 3 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143375710","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}
AIChE JournalPub Date : 2025-02-09DOI: 10.1002/aic.18762
Juan Xiong, Ke Yu, Bing‐Hao Wang, Xin‐Yi Huang, Shu Tang, Qing Hu, Jun‐Kang Guo, Long Tang, Shuang‐Feng Yin
{"title":"Mechanically mediated bulk atom transfer radical polymerization enabled by high‐performance piezoelectric Bi0.5Na0.5TiO3","authors":"Juan Xiong, Ke Yu, Bing‐Hao Wang, Xin‐Yi Huang, Shu Tang, Qing Hu, Jun‐Kang Guo, Long Tang, Shuang‐Feng Yin","doi":"10.1002/aic.18762","DOIUrl":"https://doi.org/10.1002/aic.18762","url":null,"abstract":"This study presents the successful mechanically mediated bulk atom transfer radical polymerization (mechano‐ATRP) of methyl acrylate (MA) using the high‐performance piezoelectric material Bi<jats:sub>0.5</jats:sub>Na<jats:sub>0.5</jats:sub>TiO<jats:sub>3</jats:sub> (BNT) under ultrasonic conditions. Compared to the widely used BaTiO<jats:sub>3</jats:sub> in mechano‐ATRP, BNT demonstrates superior piezoelectric performance, enhancing carrier generation, separation, and interfacial transfer. The strong interaction between BNT and Cu catalysts facilitates the rapid capture of mechano‐induced electrons, leading to the formation of Cu<jats:sup>I</jats:sup>/L and efficient polymerization initiation. Factors such as piezoelectric material loading, Cu catalyst loading, targeted degrees of polymerization, and sonication power were systematically evaluated. The living nature of ATRP was confirmed by polymers with predetermined molecular weights and low dispersitis (<1.2). This work broadens the application of ATRP and offers valuable insights into the design of piezoelectric catalytic materials for mechano‐ATRP.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"41 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143371521","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}
{"title":"Sequential hydrogenation enhanced by bidirectional hydrogen spillover over cascade catalyst","authors":"Shuai Wang, Daowei Gao, Rongyao Wang, Yong Wang, Yipin Lv, Lianghao Song, Huaiqing Zhao, Xuchuan Jiang, Riming Hu, Guozhu Chen","doi":"10.1002/aic.18764","DOIUrl":"https://doi.org/10.1002/aic.18764","url":null,"abstract":"Formulating a synergetic strategy to govern the catalytic function of dual metal sites is paramount to achieving precise control of cascade reactions. Herein, we construct a dual-site cascade catalyst with Pt and Ru species localized in the micropores and mesopores of zeolite, respectively. This architecture enables the spatial separation of Pt and Ru sites in nanoscale proximity. Compared to mono/bi-metallic catalysts, this cascade catalyst enables a 4.4–9.5 times enhancement in activity during the sequential hydrogenation of nitroaromatics to cyclohexylamine. Particularly, bidirectional hydrogen spillover assists hydrogenation between Pt and Ru sites is confirmed, where active hydrogen migrates from the less catalytic activity metal to the adjacent metal sites during the first/second step in the cascade reaction. Characterization studies and density functional theory calculations suggest that bidirectional hydrogen spillover enhances the coverage of active hydrogen at the active sites for each hydrogenation step, thereby reducing the energy barrier of the rate-controlling step. This intriguing phenomenon reveals the mechanism of accelerated hydrogenation and presents an opportunity for devising immensely efficient cascade catalysts.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"40 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143258119","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}
AIChE JournalPub Date : 2025-02-07DOI: 10.1002/aic.18758
Zhiyong Jia, Xiankun Shen, Yuelin Wang, Xiaocheng Lan, Tiefeng Wang
{"title":"A CFD study of the effect of ridge baffles on the hydrodynamic behavior in gas–solid fluidized system","authors":"Zhiyong Jia, Xiankun Shen, Yuelin Wang, Xiaocheng Lan, Tiefeng Wang","doi":"10.1002/aic.18758","DOIUrl":"https://doi.org/10.1002/aic.18758","url":null,"abstract":"This study investigates the impact of ridge baffles on the hydrodynamics of cold hydrogenation fluidized bed reactors (FBRs) using Euler–Euler simulations. The model was validated by comparing predicted pressure drops and bed expansion ratios with literature results. A comparative analysis was performed on 3D FBRs with and without ridge baffles in terms of solid holdup, gas–solid velocity distribution, pressure fluctuation, and residence time distribution (RTD). Ridge baffles were found to effectively break up large bubbles and enhance gas–solid contacting efficiency, as demonstrated by visual observations, reduced pressure standard deviations, and increased bubble frequency. Furthermore, baffled FBRs demonstrated a much narrower RTD and shorter tails than the free FBR, indicating the ability to suppress gas-phase back-mixing through the inhibition of solid back-mixing and improvement of stripping efficiency. Based on sensitivity analysis of the number of baffle layers, one single layer of ridge baffles is the optimal design under the current simulation.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"207 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143258120","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}
AIChE JournalPub Date : 2025-02-06DOI: 10.1002/aic.18755
Benedict Prah, Giovanni Luzi, Antonio Delgado, Man‐gi Cho
{"title":"Gas hydrates in future food production: A comprehensive review of the potential of an emerging technology","authors":"Benedict Prah, Giovanni Luzi, Antonio Delgado, Man‐gi Cho","doi":"10.1002/aic.18755","DOIUrl":"https://doi.org/10.1002/aic.18755","url":null,"abstract":"This review aims to explore the potential of hydrate technology, an emerging and innovative approach in the food and beverage sector for applications such as food preservation, carbonation, baking agents, and juice concentration. In particular, the latest advancements and limitations of hydrate technology are explored and discussed. Based on a collection of experimental and modeling data available elsewhere in literature, the dynamics of hydrate formation in the presence of food produce and beverages and their influence on growth kinetics, preservation, nutritional content, sensory qualities, and separation efficiency are discussed in detail. Furthermore, this review analyses thermodynamic and kinetic studies, modeling, and process engineering of hydrate technology. The goal is to bridge the gap between fundamental scientific insight and industrial‐scale adoption of gas hydrate utilization in food separation processes.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"23 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143191952","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}
AIChE JournalPub Date : 2025-02-05DOI: 10.1002/aic.18765
Xin Zhang, Xuefeng Bai, Yi Li, Yabo Xie, Run-Ji Zhang, Da-Yu Chen, Jian-Yu Zhang, Na Xing, Jian-Rong Li
{"title":"An atomically economical and environmentally benign approach for the scalable synthesis of rare-earth metal-organic framework catalysts","authors":"Xin Zhang, Xuefeng Bai, Yi Li, Yabo Xie, Run-Ji Zhang, Da-Yu Chen, Jian-Yu Zhang, Na Xing, Jian-Rong Li","doi":"10.1002/aic.18765","DOIUrl":"https://doi.org/10.1002/aic.18765","url":null,"abstract":"Metal–organic frameworks (MOFs), as an emerging class of porous materials, demonstrated substantial potential for applications in chemical engineering processes. However, their production often generates significant waste including ionic residues and organic solvents, posing considerable environmental concerns. Herein, we report the environmentally benign MOF synthesis with metal oxides precursors, yielding water as the exclusive by-product. This approach not only enhances atom economy but also promotes solvent recycling by preventing anion accumulation, significantly reducing waste generation. The synthesis can be easily scaled up in a 10-L reactor with an impressive space–time yield of 608 kg·m<sup>−3</sup>·day<sup>−1</sup>. Furthermore, MOF-76(Y) was implemented in a reactor for catalytic cycloaddition reaction at kg-scale. Through optimization of the interfacial contact between CO<sub>2</sub> and the reaction liquid phase, a yield of 96.7% was achieved under mild conditions. This work demonstrates a rare example of scalable and sustainable synthesis of MOF materials coupled with catalysis implementation at kilogram scale.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"19 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143124608","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}
AIChE JournalPub Date : 2025-02-04DOI: 10.1002/aic.18744
Jinping Zha, Hong Zhu, Liangchao Shang, Yongchen Lu, Winston Duo Wu, Xiao Dong Chen, Jie Xiao
{"title":"On-aim generation of monodisperse droplets from piezoelectric pulsation-driven glass nozzles","authors":"Jinping Zha, Hong Zhu, Liangchao Shang, Yongchen Lu, Winston Duo Wu, Xiao Dong Chen, Jie Xiao","doi":"10.1002/aic.18744","DOIUrl":"https://doi.org/10.1002/aic.18744","url":null,"abstract":"Piezoelectric pulsation-driven glass nozzles are capable of generating monodisperse droplets through liquid jet breakup. Due to the lack of fundamental understanding of this process, how to ensure uniform droplet generation with a specified size for liquids with specific rheological properties remains unknown. In this work, the complete atomization process including phenomena in and outside of the nozzle has been described by a new multi-physics model, where the expensive in-nozzle simulation can be rigorously replaced by a semi-empirical relationship. This computationally efficient model allowed us to systematically and quantitatively explore the influence of different material and operating parameters on jet breakup. It was found unintuitively that the surface tension has negligible influence on droplet size and its distribution. The droplet size can be independent of the nozzle radius under the condition of a constant inflow rate. Moreover, a detailed guideline was established to achieve on-aim size control of the atomized droplets.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"123 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084103","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}
AIChE JournalPub Date : 2025-02-04DOI: 10.1002/aic.18655
Ryan L. Hartman, Daniel A. Hickman, Amanda Palumbo, Narayan Ramesh
{"title":"Breaking barriers for academic-industry sabbaticals","authors":"Ryan L. Hartman, Daniel A. Hickman, Amanda Palumbo, Narayan Ramesh","doi":"10.1002/aic.18655","DOIUrl":"https://doi.org/10.1002/aic.18655","url":null,"abstract":"Industrial sabbaticals provide a unique learning opportunity for both professors and the host company. However, a successful sabbatical requires early alignment regarding objectives followed by careful planning to maximize the value of the experience. We offer this description of our recent experience to give our academic and industrial colleagues practical advice for designing and executing a successful sabbatical in a corporate research setting. Sabbaticals can serve as an additional conduit between academia and industry, and we expect the immersive experience to impact teaching and undergraduate and graduate education broadly.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"47 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084125","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}
AIChE JournalPub Date : 2025-02-04DOI: 10.1002/aic.18749
Yu Sun, Jie Gan, Bing Du, You Wang, Jieyi Yin, Sai Zhang
{"title":"Investigation of hydrogen spillover in atomically dispersed metal on WO3 for selective hydrogenation","authors":"Yu Sun, Jie Gan, Bing Du, You Wang, Jieyi Yin, Sai Zhang","doi":"10.1002/aic.18749","DOIUrl":"https://doi.org/10.1002/aic.18749","url":null,"abstract":"Optimizing kinetic barriers of hydrogen spillover for selective hydrogenation on supported catalysts with dual-active sites faces a significant challenge due to inherent contradiction between H<sub>2</sub> activation and *H transformation from metal to support. Herein, the adsorption energy of *H (<i>E</i><sub><i>ad</i></sub>(H)) on metal has been demonstrated as a viable descriptor for understanding hydrogenation on the WO<sub>3</sub> surface with dual-active sites of single-atom metals and oxygen vacancies. Theoretical simulations rationalize the optimized value of <i>E</i><sub><i>ad</i></sub>(H) of −2.49 eV for these dual-active sites. Furthermore, the absolute value (|Δ<i>E</i><sub><i>ad</i></sub>(H)|) between <i>E</i><sub><i>ad</i></sub>(H) and −2.49 eV was calculated to directly explore the catalytic activity of M<sub>1</sub>/NR-WO<sub>3</sub>. Among them, the Pt<sub>1</sub>/NR-WO<sub>3</sub> catalysts with the lowest |Δ<i>E</i><sub><i>ad</i></sub>(H)| exhibited the weakened *H adsorption and enabled efficient H<sub>2</sub> activation, resulting in a TOF value of 170,480 h<sup>−1</sup> and >99.9% selectivity for the hydrogenation of <i>p</i>-chloronitrobenzene to <i>p</i>-chloroaniline. These findings provide new insights into the hydrogen spillover-promoted selective hydrogenation.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"82 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084161","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}
AIChE JournalPub Date : 2025-02-03DOI: 10.1002/aic.18743
Peng Jiang, Chenhan Wang, Lin Li, Tuo Ji, Liwen Mu, Xiaohua Lu, Jiahua Zhu
{"title":"Green impacts of transforming green electricity into microwave for ammonia and urea production","authors":"Peng Jiang, Chenhan Wang, Lin Li, Tuo Ji, Liwen Mu, Xiaohua Lu, Jiahua Zhu","doi":"10.1002/aic.18743","DOIUrl":"https://doi.org/10.1002/aic.18743","url":null,"abstract":"Green NH<sub>3</sub> production is challenged by high energy consumption, costs, and low yields. Here, we proposed a new green NH<sub>3</sub> process utilizing microwave (MW)-driven N<sub>2</sub> transformations (GreenE+MW). This process integrates water electrolysis, air separation, MW-assisted NH<sub>3</sub> synthesis, and NH<sub>3</sub> separation. For comparison, a green NH<sub>3</sub> process using the Haber–Bosch technology (GreenE+HB) was established, and the energy, economic, and environmental impacts were evaluated. The GreenE+MW process increased NH<sub>3</sub> yield by 25.14% and reduced energy consumption by 20.69% compared to the GreenE+HB process. Furthermore, it demonstrated notable advantages in cost and carbon footprint, with green NH<sub>3</sub> production costs potentially reduced to 326.84 USD/tNH<sub>3</sub> at electricity price of 0.02 USD/kWh. Based on which, a green urea process was proposed, achieving an 85% reduction in carbon emissions (0.128 kgCO<sub>2</sub>e/kgUrea) compared to conventional methods. This work offers a unique electrification technology to reconstruct the industrial NH<sub>3</sub> and urea production processes with a lower carbon footprint.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"24 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084105","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}