AIChE Journal最新文献

筛选
英文 中文
Hydrophobic fluorinated superacid resins for water‐tolerant C‐C coupling to high‐density bio‐jet fuels 用于耐水C - C偶联到高密度生物喷气燃料的疏水氟化超酸性树脂
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2026-08-14 DOI: 10.1002/aic.70581
Junjian Xie, Xinquan Zeng, Junhao Yu, Xiu‐tian‐feng E, Qiangqiang Zhu, Yu Shen, Ji‐Jun Zou, Qiuyu Zhang
{"title":"Hydrophobic fluorinated superacid resins for water‐tolerant C‐C coupling to high‐density bio‐jet fuels","authors":"Junjian Xie, Xinquan Zeng, Junhao Yu, Xiu‐tian‐feng E, Qiangqiang Zhu, Yu Shen, Ji‐Jun Zou, Qiuyu Zhang","doi":"10.1002/aic.70581","DOIUrl":"https://doi.org/10.1002/aic.70581","url":null,"abstract":"Upgrading biomass to high‐performance fuel offers an effective solution to energy crisis and carbon neutrality goals, however, most value‐added reaction suffers from byproduct water‐induced deactivation of acid catalysts and consequent side reactions. Herein, novel hydrophobic oleophilic mesoporous fluorinated sulfonic acid resins with exceptional thermostability, superacidity, and tunable acid density were facilely synthesized via free‐radical copolymerization and subsequent ion exchange. The optimal FSA‐2 achieves a record bicyclic product yield of 76.7% in self‐aldol condensation of cyclohexanone and a high tricyclic yield of 74.5% in alkylation of 2‐methylfuran with cyclohexanone, significantly outperforming commercial Amberlyst‐15, Nafion‐212, and zeolite catalysts. Its superior activity arises from superacid sites, suitable acid density, and excellent hydrophobicity‐oleophilicity, enabling FSA‐2 to be recycled steadily for four consecutive runs. Subsequent hydrodeoxygenation affords three high‐energy‐density bio‐jet fuels with densities of 0.825, 0.881, and 0.887 g/mL, respectively. This work provides a scalable solid acid platform for bio‐jet fuel production from lignocellulose‐derived compounds.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"49 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148729059","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
Hydrodynamic and mass transfer behaviors of NH 3 microbubbles in ionic liquids 离子液体中nh3微泡的流体力学和传质行为
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2026-08-14 DOI: 10.1002/aic.70564
Zongxu Wang, Kejing Zhao, Junnan Wang, Mengyu Ren, Shaojuan Zeng, Lu Bai, Haifeng Dong, Xiangping Zhang
{"title":"Hydrodynamic and mass transfer behaviors of NH 3 microbubbles in ionic liquids","authors":"Zongxu Wang, Kejing Zhao, Junnan Wang, Mengyu Ren, Shaojuan Zeng, Lu Bai, Haifeng Dong, Xiangping Zhang","doi":"10.1002/aic.70564","DOIUrl":"https://doi.org/10.1002/aic.70564","url":null,"abstract":"Ionic liquids enable efficient ammonia‐containing gas separation, but conventional absorption towers suffer from limited interfacial area and mass transfer efficiency. Microchannels overcome this owing to their large specific surface area. This study investigated the hydrodynamic and mass transfer behaviors of ammonia microbubbles in T‐junction microchannels with [Bmim][BF <jats:sub>4</jats:sub> ]. Experimental results revealed that ammonia bubble generation proceeded by a squeezing‐dominated mechanism. The intense vorticity field in the bubble growth stage drove rapid bubble expansion and played a key role in overall mass transfer. The volumetric mass transfer coefficient initially increased and then declined with increasing <jats:italic>Q</jats:italic> <jats:sub>g</jats:sub> , which was determined by the competition between bubble‐induced flow disturbance and channel obstruction. A constricted gas‐inlet structure was proposed to enhance the mass transfer performance, and a predictive model was subsequently developed with prediction errors within ±15%. These findings provide fundamental support for the design and optimization of microchannel reactors for ionic liquid‐based gas separation.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"37 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148729060","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
Low‐cost robust covalent organic framework with pyridine sites for deep flue gas desulfurization 具有吡啶位点的低成本坚固共价有机框架用于烟气深度脱硫
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2026-08-14 DOI: 10.1002/aic.70595
Shouchao Zhong, Linyu Zhuo, Yongfang Qu, Liping Zheng, Yabin Zhou, Yong Zheng, Fujian Liu, Lilong Jiang
{"title":"Low‐cost robust covalent organic framework with pyridine sites for deep flue gas desulfurization","authors":"Shouchao Zhong, Linyu Zhuo, Yongfang Qu, Liping Zheng, Yabin Zhou, Yong Zheng, Fujian Liu, Lilong Jiang","doi":"10.1002/aic.70595","DOIUrl":"https://doi.org/10.1002/aic.70595","url":null,"abstract":"The practical deployment of covalent organic frameworks (COFs) for industrial gas separations is hindered by synthetic complexity, high monomer costs, and insufficient stability. We report a pyridine‐functionalized, vinylene‐linked COF (2,4,6‐trimethylpyridine‐terephthalaldehyde‐COF [TMP‐TPA‐COF]) that overcomes these barriers. Synthesized from inexpensive monomers (TMP and TPA) via one‐pot Knoevenagel condensation, TMP‐TPA‐COF has robust C=C linkages enabling hectogram‐scale synthesis. It exhibits a surface area of 1467 m <jats:sup>2</jats:sup> g <jats:sup>−1</jats:sup> and static sulfur dioxide (SO <jats:sub>2</jats:sub> ) adsorption of 14.8 mmol g <jats:sup>−1</jats:sup> at 25°C. Under simulated flue gas (6000 ppm SO <jats:sub>2</jats:sub> , 15% CO <jats:sub>2</jats:sub> , balance N <jats:sub>2</jats:sub> ), dynamic breakthrough shows a working capacity of 1.51 mmol g <jats:sup>−1</jats:sup> and high selectivities, driven by Lewis acid–base interactions with pyridine sites. It is fully regenerated at 120°C under N <jats:sub>2</jats:sub> , retaining 95% capacity over 15 cycles. Its monomer cost is orders of magnitude lower than benchmark COFs, challenging the view that COFs are impractical for large‐scale applications and establishing a cost‐effective sorbent for deep SO <jats:sub>2</jats:sub> removal.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"275 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148729062","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 scalable and low‐cost metal–organic framework synthesized under ambient conditions for benchmark CO 2 capture 一种在环境条件下合成的可扩展和低成本的金属有机框架,用于基准二氧化碳捕获
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2026-08-14 DOI: 10.1002/aic.70600
Peixin Zhang, Chaoming Hu, Zhenglong Zhu, Zhenwei Zhou, Hao Wang, Jingwen Chen, Shixia Chen, Zhenyu Zhou, Shuguang Deng, Jun Wang
{"title":"A scalable and low‐cost metal–organic framework synthesized under ambient conditions for benchmark CO 2 capture","authors":"Peixin Zhang, Chaoming Hu, Zhenglong Zhu, Zhenwei Zhou, Hao Wang, Jingwen Chen, Shixia Chen, Zhenyu Zhou, Shuguang Deng, Jun Wang","doi":"10.1002/aic.70600","DOIUrl":"https://doi.org/10.1002/aic.70600","url":null,"abstract":"The practical application of metal–organic frameworks (MOFs) for CO <jats:sub>2</jats:sub> capture requires balancing high efficiency, cyclability, and scalable production. Herein, we report a novel MOF adsorbent, Cu <jats:sub>3</jats:sub> (ntrz) <jats:sub>2</jats:sub> (ox) <jats:sub>2</jats:sub> , which allows for low‐cost and scalable synthesis in aqueous solutions under ambient conditions. Its tailored large pocket‐like cavities interconnected by narrow pore apertures provide exceptional CO <jats:sub>2</jats:sub> adsorption capacities of 6.80 and 3.48 mmol g <jats:sup>−1</jats:sup> at 1.0 bar and 0.15 bar (298 K), achieving a record‐high VPSA working capacity of 5.03 mmol g <jats:sup>−1</jats:sup> within 0.05–1.0 bar. Shaped pellets retain 95% CO <jats:sub>2</jats:sub> adsorption capacity and good mechanical strength, fulfilling industrial requirements. Experimental VPSA analysis demonstrates that a 15% CO <jats:sub>2</jats:sub> gas‐stream can be enriched to 91.37% and 95.06% with productivities of 0.402 and 1.86 m <jats:sup>3</jats:sup> t <jats:sup>−1</jats:sup> h <jats:sup>−1</jats:sup> within 0.08–1.0 bar and 0.08–6.0 bar, outperforming zeolite 13X. The adsorption behaviors and mechanisms are elucidated via Grand Canonical Monte Carlo and dispersion‐corrected density functional theory simulations.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"9 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148729061","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
d‐Band center engineering of Cu active sites breaks activity–stability trade‐offs in nitrate‐to‐ammonia electroreduction Cu活性位点的d -波段中心工程打破了硝酸盐-氨电还原中活性-稳定性的权衡
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2026-08-13 DOI: 10.1002/aic.70573
Yifei Nie, Yuanjin Li, Hongping Yan, Yaoqi Xie, Qingquan Luo, Qingchun Guo, Shijing Liang, Wei Li, Lilong Jiang
{"title":"d‐Band center engineering of Cu active sites breaks activity–stability trade‐offs in nitrate‐to‐ammonia electroreduction","authors":"Yifei Nie, Yuanjin Li, Hongping Yan, Yaoqi Xie, Qingquan Luo, Qingchun Guo, Shijing Liang, Wei Li, Lilong Jiang","doi":"10.1002/aic.70573","DOIUrl":"https://doi.org/10.1002/aic.70573","url":null,"abstract":"Copper‐based catalysts dominate electrocatalytic nitrate reduction to ammonia (NO <jats:sub>3</jats:sub> RR), yet suffer from an intrinsic activity‐stability trade‐off due to strong NH <jats:sub>3</jats:sub> intermediates adsorption on Cu active sites, which accelerates catalyst deactivation at high activities. Herein, we regulate the d‐band center (εd) of Cu sites through Cu <jats:sup>+</jats:sup> /Cu <jats:sup>0</jats:sup> heterostructure engineering to facilitate NH <jats:sub>3</jats:sub> desorption while preserving efficient nitrate conversion. Electrochemical kinetics and DFT calculations identify NH <jats:sub>3</jats:sub> desorption as a critical kinetic limitation during NO <jats:sub>3</jats:sub> RR and reveal that εd downshifting weakens NH <jats:sub>3</jats:sub> binding and promotes its removal from the catalyst surface. This electronic modulation simultaneously suppresses Cu leaching (7.9‐fold reduction) and lowers the NH <jats:sub>3</jats:sub> desorption barrier. The optimized catalyst achieves an NH <jats:sub>3</jats:sub> yield rate of 6.6 mg h <jats:sup>−1</jats:sup> mg <jats:sub>cat</jats:sub> <jats:sup>−1</jats:sup> with a Faradaic efficiency of 97.9% at −0.8 V in 500 ppm KNO <jats:sub>3</jats:sub> , while retaining over 95% activity after 24 consecutive cycles. This work establishes electronic‐structure regulation as an effective strategy for durable, high‐performance NO <jats:sub>3</jats:sub> RR catalysts.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"121 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148717653","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
Unexpected ultra‐efficiency for hexene/hexane separation derived from synergistic of “shielding” extractant 由于“屏蔽”萃取剂的协同作用,对己烯/己烷分离产生了意想不到的超效率
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2026-08-13 DOI: 10.1002/aic.70579
Chuanqi Geng, Hongbin Wang, Xueqi Shi, Siya Ding, Zhenyu Zhao, Qiuyan Ding, Hong Li, Xin Gao
{"title":"Unexpected ultra‐efficiency for hexene/hexane separation derived from synergistic of “shielding” extractant","authors":"Chuanqi Geng, Hongbin Wang, Xueqi Shi, Siya Ding, Zhenyu Zhao, Qiuyan Ding, Hong Li, Xin Gao","doi":"10.1002/aic.70579","DOIUrl":"https://doi.org/10.1002/aic.70579","url":null,"abstract":"The efficient separation of α‐olefins from alkanes presents a significant challenge in the chemical industry. Conventional Ag <jats:sup>+</jats:sup> ‐based π‐complexation extraction suffers from poor selectivity due to high alkane solubility in organic solvents. This work proposes a novel “shielding extractant” concept by immobilizing Ag <jats:sup>+</jats:sup> in ethylene glycol (EG). The robust hydrogen bonding network of EG effectively excludes nonpolar alkanes, while Ag <jats:sup>+</jats:sup> exists as [Ag(EG)] <jats:sup>+</jats:sup> , retaining strong π‐complexation with olefinic C=C bonds. This coupled shielding‐complexation mechanism achieves a hexene/hexane performance index of 81, surpassing traditional solvents by 1–2 orders of magnitude. The extractant enables single‐stage enrichment of total olefins from simulated Fischer‐Tropsch oils to over 98 wt.% with excellent recyclability. A coupled extraction‐distillation process can deliver exceeding 98% olefin and 99.9% alkane products with 84.7% energy consumption reduced. This work provides a new, ultra‐efficient pathway for long‐chain olefin/alkane separation.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"32 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148729066","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
Co‐tuning the content of hydroxyl nests and b ‐axis thickness of ZnO x /Silicalite‐1 for efficient propane dehydrogenation 通过调整氧化锌/硅石- 1的羟基巢的含量和b轴厚度来实现丙烷的高效脱氢
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2026-08-13 DOI: 10.1002/aic.70587
Qi Liu, Shanlei Han, Dong Xiong, Yuming Li, Qingxin Yang, Dan Zhao, Yuhang Zhong, Shihao Wang, Zhentao Chen, Dmitry E. Doronkin, Laiyong Zhang, Chunming Xu, Guiyuan Jiang
{"title":"Co‐tuning the content of hydroxyl nests and b ‐axis thickness of ZnO x /Silicalite‐1 for efficient propane dehydrogenation","authors":"Qi Liu, Shanlei Han, Dong Xiong, Yuming Li, Qingxin Yang, Dan Zhao, Yuhang Zhong, Shihao Wang, Zhentao Chen, Dmitry E. Doronkin, Laiyong Zhang, Chunming Xu, Guiyuan Jiang","doi":"10.1002/aic.70587","DOIUrl":"https://doi.org/10.1002/aic.70587","url":null,"abstract":"Tuning hydroxyl defects and constructing active sites at the molecular level is critical for rational design of propane dehydrogenation (PDH) catalysts and understanding the structure–activity relationship. For practical application, enhancing catalysts anti‐coking performance is equally important. Herein, the simultaneous regulation of hydroxyl nests content and <jats:italic>b</jats:italic> ‐axis thickness was achieved by adjusting the urea/SiO <jats:sub>2</jats:sub> ratio during the preparation of Silicalite‐1. The propylene formation rate of the catalysts prepared by introducing Zn species showed a linear positive correlation with the hydroxyl nests content, and the coking behavior was governed by the <jats:italic>b</jats:italic> ‐axis thickness of the support. The optimized ZnO <jats:sub> <jats:italic>x</jats:italic> </jats:sub> /Silicalite‐1 exhibited a high propylene space time yield of 2.2 kg h <jats:sup>−1</jats:sup> kg <jats:sub>cat</jats:sub> <jats:sup>−1</jats:sup> with propane conversion of 31% at 550°C. This work provides novel insights into PDH catalyst design from both chemistry and chemical engineering views.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"15 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148717652","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
Structured packing design with minimized pressure drop for thermal separation columns by CFD ‐based shape optimization 基于CFD形状优化的热分离柱结构填料设计与最小压降
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2026-08-12 DOI: 10.1002/aic.70546
Andreas Lange, Georg Fieg
{"title":"Structured packing design with minimized pressure drop for thermal separation columns by CFD ‐based shape optimization","authors":"Andreas Lange, Georg Fieg","doi":"10.1002/aic.70546","DOIUrl":"https://doi.org/10.1002/aic.70546","url":null,"abstract":"Distillation still is the most widely applied thermal separation process in the chemical industry, but high energy demand goes along with it. Electrification and minimizing industrial column's energy demand are essential from an economic and ecological perspective. A lever to minimize energy demand and thermal stress on specialty chemicals is the development of novel structured packings with minimized pressure drop. These can now be realized by additive manufacturing. To fully exploit this potential, mathematical optimization techniques need to be applied. For the first time, a highly efficient computational fluid dynamics (CFD)‐based adjoint shape optimization method is applied in structured packing design with minimized pressure drop. The design approach, embedded in a holistic development method, is presented. Selected results of a shape optimization study of a Rombopak basic element reveal a 13.7% reduction in pressure drop at constant specific surface area. The design method contributes to the development of next generation structured packings.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"16 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148717334","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
Ultra‐fast uranium recovery from seawater by reusable deep eutectic solvents: Mechanism and life cycle assessment 利用可重复使用的深共晶溶剂从海水中超高速回收铀:机理和生命周期评估
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2026-08-12 DOI: 10.1002/aic.70575
Dandan Liu, Yuyi Yao, Peizhe Cui, Yinglong Wang, Shuli Yin, Guoxuan Li
{"title":"Ultra‐fast uranium recovery from seawater by reusable deep eutectic solvents: Mechanism and life cycle assessment","authors":"Dandan Liu, Yuyi Yao, Peizhe Cui, Yinglong Wang, Shuli Yin, Guoxuan Li","doi":"10.1002/aic.70575","DOIUrl":"https://doi.org/10.1002/aic.70575","url":null,"abstract":"Three novel hydrophobic deep eutectic solvents (HDESs) based on tributyl phosphate as a hydrogen bond acceptor were designed for selective UO <jats:sub>2</jats:sub> <jats:sup>2+</jats:sup> extraction from simulated seawater. Using octanoic acid or 2‐thenoyltrifluoroacetone as hydrogen‐bond donors, the HDESs achieved &gt;96.671% extraction efficiency at low dosages within short contact times, with excellent selectivity in the presence of competing ions. The solvents were efficiently regenerated and exhibited good stability over multiple cycles. Proton nuclear magnetic resonance spectra, Fourier transform infrared spectra, and density functional theory calculations elucidated the formation mechanism and coordination interactions. Life cycle assessment further provides process‐level guidance for future scale‐up, highlighting efficient phase management and solvent reuse as key factors. This work establishes a recyclable platform for uranium recovery from seawater, supporting sustainable nuclear fuel cycles.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"8 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148717335","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
Multiscale reaction and heat transfer investigation of methylcyclohexane dehydrogenation: A CFD study 甲基环己烷脱氢的多尺度反应及传热研究:CFD研究
IF 3.7 3区 工程技术
AIChE Journal Pub Date : 2026-08-12 DOI: 10.1002/aic.70572
Jixiao Li, Mengxian Yu, Hao Peng, Kang Xue, Chao Sun, Chong Peng, Chengxiang Shi, Xiangwen Zhang, Ji‐Jun Zou, Lun Pan
{"title":"Multiscale reaction and heat transfer investigation of methylcyclohexane dehydrogenation: A CFD study","authors":"Jixiao Li, Mengxian Yu, Hao Peng, Kang Xue, Chao Sun, Chong Peng, Chengxiang Shi, Xiangwen Zhang, Ji‐Jun Zou, Lun Pan","doi":"10.1002/aic.70572","DOIUrl":"https://doi.org/10.1002/aic.70572","url":null,"abstract":"As one of liquid organic hydrogen carriers, the methylcyclohexane‐toluene (MCH‐TOL) system has been widely investigated with fixed bed reactor. However, the dehydrogenation process is restricted by a highly endothermic reaction and the heat transfer drawback of the fixed bed reactor, followed by waste of catalyst, requiring optimization to homogenize temperature and promote dehydrogenation performance. This study investigated the influence of reactor geometry and operating parameters on the dehydrogenation performance of the MCH‐TOL system from the computational fluid dynamics perspective. At the reactor scale, the effect of multiple operation conditions on heat transfer is analyzed with the temperature‐reaction‐rate outline; at the particle scale, catalyst dilution and turbulence are simulated to reduce heat resistance in solid and fluid phases. Finally, an improved reactor design is proposed by reducing tube diameter and catalyst dilution, which achieves 95% heat uniformity and almost optimal MCH conversion from 613 to 723 K, thereby providing the process scheme that fully exploits catalyst activity.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"2 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148717333","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
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信
小红书