Pub Date : 2024-11-25DOI: 10.1021/acs.iecr.4c02979
Junqi Gao, Hui Mao, Yuying Kong, Zihuan Zhang, Khak Ho Lim, Wen-Jun Wang, Xuan Yang
Utilizing the elementary building blocks of plant cell walls, cellulose nanofibrils (CNFs), can give final materials excellent mechanical properties. For instance, CNF-based wet-spun fibers exhibit superior mechanical properties, surpassing their source materials, plant fibers. Such high mechanical performance is closely related to CNFs’ orientation; thus, most previous research has focused on optimizing spinning rates or introducing post-stretching to enhance this parameter. In this study, the effects of the CNF surface properties on CNF orientation were investigated, which are often neglected in the literature: 1) during extrusion, the CNF surface properties affect the rheological behaviors of the spinning suspension, which in turn influences CNFs’ orientation potential; 2) during coagulation, they govern the affinity between CNFs and antisolvents, thereby determining the shrinkage of CNF gels; 3) during drying, they directly impact capillary forces induced by the evaporation of antisolvents, which significantly determine the CNF orientation in the end products. Overall, this fundamental study provides deeper insights into the assembling behavior of colloidal nanoparticles such as CNFs, which can advance the development of high-performance man-made fibers.
{"title":"The Effect of Nanocellulose Surface Properties on the Corresponding Wet-Spinning Process for Man-Made Fibers: Extrusion, Coagulation, and Drying","authors":"Junqi Gao, Hui Mao, Yuying Kong, Zihuan Zhang, Khak Ho Lim, Wen-Jun Wang, Xuan Yang","doi":"10.1021/acs.iecr.4c02979","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02979","url":null,"abstract":"Utilizing the elementary building blocks of plant cell walls, cellulose nanofibrils (CNFs), can give final materials excellent mechanical properties. For instance, CNF-based wet-spun fibers exhibit superior mechanical properties, surpassing their source materials, plant fibers. Such high mechanical performance is closely related to CNFs’ orientation; thus, most previous research has focused on optimizing spinning rates or introducing post-stretching to enhance this parameter. In this study, the effects of the CNF surface properties on CNF orientation were investigated, which are often neglected in the literature: 1) during extrusion, the CNF surface properties affect the rheological behaviors of the spinning suspension, which in turn influences CNFs’ orientation potential; 2) during coagulation, they govern the affinity between CNFs and antisolvents, thereby determining the shrinkage of CNF gels; 3) during drying, they directly impact capillary forces induced by the evaporation of antisolvents, which significantly determine the CNF orientation in the end products. Overall, this fundamental study provides deeper insights into the assembling behavior of colloidal nanoparticles such as CNFs, which can advance the development of high-performance man-made fibers.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"46 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142696711","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}
Pub Date : 2024-11-24DOI: 10.1021/acs.iecr.4c02837
Hongyang Zhang, Yujing Su, Yingdong Chen, Fangrui Liu, Ruojia Zhu, Pengtao Zhao, Lianjin Wei, Wenqi Li, Tao Chen, Jiajun Fu
As a highly promising electrode material for future batteries, silicon (Si) is considered an alternative anode, which has garnered significant attention due to its exceptional theoretical gravimetric capacity, low working potential, and abundant natural resources. Nonetheless, the real-world usage of silicon anodes is hampered by huge challenges such as drastic volumetric expansion, poor structural interfacial stability, and unstable solid electrolyte interface. To tackle these challenges, significant endeavors have been increasingly channeled into the creation of novel binders. Adhesive, as an element of the silicon electrode, is crucial for preserving structural stability. Therefore, designing multifunctional binder stress dissipation networks is one of the important strategies to overcome the challenges of commercializing silicon anodes. This paper reviews recent advances in silicon anode binders and explores the structural-functional properties of these binders. Binders can be classified based on their structure into linear, branched, three-dimensional networks, and multiconjugated. The functional properties of different structural design strategies are discussed in depth, focusing on mechanical and electrical conductivity. Special attention is given to the design strategy of multifunctional stress-release binder networks. Finally, the article addresses the challenges and future directions of silicon anode binder research and offers suggestions for the continued advancement of high-performance silicon anode lithium-ion batteries.
{"title":"Insights into the Structure–Property–Function Relationships of Silicon-Based Anode Binders for Lithium-Ion Batteries","authors":"Hongyang Zhang, Yujing Su, Yingdong Chen, Fangrui Liu, Ruojia Zhu, Pengtao Zhao, Lianjin Wei, Wenqi Li, Tao Chen, Jiajun Fu","doi":"10.1021/acs.iecr.4c02837","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02837","url":null,"abstract":"As a highly promising electrode material for future batteries, silicon (Si) is considered an alternative anode, which has garnered significant attention due to its exceptional theoretical gravimetric capacity, low working potential, and abundant natural resources. Nonetheless, the real-world usage of silicon anodes is hampered by huge challenges such as drastic volumetric expansion, poor structural interfacial stability, and unstable solid electrolyte interface. To tackle these challenges, significant endeavors have been increasingly channeled into the creation of novel binders. Adhesive, as an element of the silicon electrode, is crucial for preserving structural stability. Therefore, designing multifunctional binder stress dissipation networks is one of the important strategies to overcome the challenges of commercializing silicon anodes. This paper reviews recent advances in silicon anode binders and explores the structural-functional properties of these binders. Binders can be classified based on their structure into linear, branched, three-dimensional networks, and multiconjugated. The functional properties of different structural design strategies are discussed in depth, focusing on mechanical and electrical conductivity. Special attention is given to the design strategy of multifunctional stress-release binder networks. Finally, the article addresses the challenges and future directions of silicon anode binder research and offers suggestions for the continued advancement of high-performance silicon anode lithium-ion batteries.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"82 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142696710","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}
As a promising alternative to HgCl2 for acetylene hydrochlorination, a novel catalyst of Ru/ammonium oxalate (NCO)-activated carbon (AC) was developed, which shows approximately 90% conversion of acetylene and over 99% selectivity for the vinyl chloride monomer (VCM). In comparison to the conventional Ru/AC catalyst, the amount of ruthenium chloride in Ru/NCO-AC was reduced to less than 0.2 wt %. In addition, the coke deposition and Ru(0) generation were decreased by approximately 18% and 50%, respectively. Characterizations indicated that the N-doped AC could inhibit the over-reduction of active Ru species and decrease the coke deposition on the catalyst. Density functional theory calculations revealed that NCO-AC could provide a synergistic environment for the Ru-based catalyst. Acetylene molecules tend to be adsorbed on carbon atoms adjacent to nitrogen atoms, which protects Ru(IV) from being reduced to Ru(0) and stabilizes the reactivity. The 0.95 eV energy barrier of Ru/NCO-AC was much lower than that of a catalyst without N atoms (1.50 eV). Moreover, the low Ru content catalyst was placed in an industrial reactor and showed excellent activity during a 500 h industrial experiment. These results may be helpful for designing efficient nonmercury catalysts and replacing existing HgCl2 for the commercial application of acetylene hydrochlorination.
{"title":"Enhanced Catalytic Performance of Ru/Ammonium Oxalate Catalysts with Low Ru Content for Nonmercury Acetylene Hydrochlorination","authors":"Chang Xu, Zehua Jin, Ruisheng Hu, Yongcheng Wu, Fan Guo, Jianan Hu, Ying Liu, Pengfei Qi, Xia Wang, Wenzhu Wang, Dengtai Pei","doi":"10.1021/acs.iecr.4c02735","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02735","url":null,"abstract":"As a promising alternative to HgCl<sub>2</sub> for acetylene hydrochlorination, a novel catalyst of Ru/ammonium oxalate (NCO)-activated carbon (AC) was developed, which shows approximately 90% conversion of acetylene and over 99% selectivity for the vinyl chloride monomer (VCM). In comparison to the conventional Ru/AC catalyst, the amount of ruthenium chloride in Ru/NCO-AC was reduced to less than 0.2 wt %. In addition, the coke deposition and Ru(0) generation were decreased by approximately 18% and 50%, respectively. Characterizations indicated that the N-doped AC could inhibit the over-reduction of active Ru species and decrease the coke deposition on the catalyst. Density functional theory calculations revealed that NCO-AC could provide a synergistic environment for the Ru-based catalyst. Acetylene molecules tend to be adsorbed on carbon atoms adjacent to nitrogen atoms, which protects Ru(IV) from being reduced to Ru(0) and stabilizes the reactivity. The 0.95 eV energy barrier of Ru/NCO-AC was much lower than that of a catalyst without N atoms (1.50 eV). Moreover, the low Ru content catalyst was placed in an industrial reactor and showed excellent activity during a 500 h industrial experiment. These results may be helpful for designing efficient nonmercury catalysts and replacing existing HgCl<sub>2</sub> for the commercial application of acetylene hydrochlorination.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"59 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142684894","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}
Pub Date : 2024-11-22DOI: 10.1021/acs.iecr.4c03088
Kalsoom Jan, Taofeng Lu, Ana Paula de Azeredo, Regina Funck Nonemacher, Raquel dos Santos Mauler, Wan-Ting Chen
Hydrothermal liquefaction (HTL), which uses subcritical and supercritical water as reaction media, was used to chemically deconstruct post-consumer recycled linear low-density polyethylene (PCR-LLDPE) with different molar masses (from 7.20 × 103 to 1.29 × 105 g/mol) into oil at 425 °C for 2 h. When the molar mass was within the range of 7.20 × 103–1.36 × 104 (g/mol), a comparable oil yield (86–90%) was obtained. However, the oil yield was reduced to 66% when the molar mass increased to 1.20 × 105 (g/mol). The chemical compositions of the oil converted from PCR-LLDPE with varying molar masses were mainly composed of paraffins, olefins, cyclics, and aromatics. Additionally, it was found that PCR-LLDPE and the post-HTL solid residues contained metallic impurities that may participate in HTL of LLDPE. The density functional theory was also used to elucidate the role of supercritical water under HTL in aiding deconstruction of LLDPE. The calculated electronic and thermodynamic parameters suggested that alkanes with smaller molar mass require lower energy to be deconstructed in HTL.
{"title":"Hydrothermal Liquefaction of Post-Consumer Recycled Linear Low-Density Polyethylene with Different Molar Masses in Supercritical Water","authors":"Kalsoom Jan, Taofeng Lu, Ana Paula de Azeredo, Regina Funck Nonemacher, Raquel dos Santos Mauler, Wan-Ting Chen","doi":"10.1021/acs.iecr.4c03088","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03088","url":null,"abstract":"Hydrothermal liquefaction (HTL), which uses subcritical and supercritical water as reaction media, was used to chemically deconstruct post-consumer recycled linear low-density polyethylene (PCR-LLDPE) with different molar masses (from 7.20 × 10<sup>3</sup> to 1.29 × 10<sup>5</sup> g/mol) into oil at 425 °C for 2 h. When the molar mass was within the range of 7.20 × 10<sup>3</sup>–1.36 × 10<sup>4</sup> (g/mol), a comparable oil yield (86–90%) was obtained. However, the oil yield was reduced to 66% when the molar mass increased to 1.20 × 10<sup>5</sup> (g/mol). The chemical compositions of the oil converted from PCR-LLDPE with varying molar masses were mainly composed of paraffins, olefins, cyclics, and aromatics. Additionally, it was found that PCR-LLDPE and the post-HTL solid residues contained metallic impurities that may participate in HTL of LLDPE. The density functional theory was also used to elucidate the role of supercritical water under HTL in aiding deconstruction of LLDPE. The calculated electronic and thermodynamic parameters suggested that alkanes with smaller molar mass require lower energy to be deconstructed in HTL.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"4 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142684896","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}
Herein, we report a hydrogen bonding-catalyzed three-component reaction of 1,2-benzylamine, styrene oxide, and dimethyl carbonate over ionic liquid 1-hydroxyethyl-3-methylimidazolium acetate ([OH-EMIm][OAc]) to synthesize various oxazolidinones in excellent yields at 100 °C. This indicates that [OH-EMIm][OAc] can activate 1,2-benzylamine and styrene oxide through hydrogen bonding to form intermediate 2-(benzylamino)-1-phenylethan-1-ol, which further reacts with dimethyl carbonate activated by [OH-EMIm][OAc], producing oxazolidinone via intramolecular cyclization of the intermediate methyl benzyl(hydroxy(phenyl)methyl)carbamate. Moreover, [OH-EMIm][OAc] could be reused five times without loss of activity. This protocol provides a facile and novel route to oxazolidinones, which may have promising application potential.
在此，我们报告了在离子液体 1-hydroxyethyl-3-methylimidazolium acetate ([OH-EMIm][OAc])上以氢键催化 1,2-苄胺、氧化苯乙烯和碳酸二甲酯的三组分反应，在 100 °C 下以极好的收率合成各种噁唑烷酮。这表明[OH-EMIm][OAc]能通过氢键活化 1,2-苄胺和氧化苯乙烯，形成中间体 2-（苄基氨基）-1-苯基-1-醇，该中间体进一步与[OH-EMIm][OAc]活化的碳酸二甲酯反应，通过中间体甲基苄基（羟基（苯基）甲基）氨基甲酸酯的分子内环化作用生成噁唑烷酮。此外，[OH-EMIm][OAc]可重复使用五次而不会失去活性。该方案提供了一种简便而新颖的草唑烷酮路线，具有广阔的应用前景。
{"title":"Hydrogen Bond-Catalyzed Synthesis of Oxazolidinone over Ionic Liquid 1-Hydroxyethyl-3-methylimidazolium Acetate","authors":"Fengtian Wu, Zewei Guo, Xinyue Fang, Xingying Lan, Yanfei Zhao, Yuepeng Wang, Dongyan Liu, Tao Xie, Delin Hu, Ling Wu, Zhimin Liu","doi":"10.1021/acs.iecr.4c03197","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03197","url":null,"abstract":"Herein, we report a hydrogen bonding-catalyzed three-component reaction of 1,2-benzylamine, styrene oxide, and dimethyl carbonate over ionic liquid 1-hydroxyethyl-3-methylimidazolium acetate ([OH-EMIm][OAc]) to synthesize various oxazolidinones in excellent yields at 100 °C. This indicates that [OH-EMIm][OAc] can activate 1,2-benzylamine and styrene oxide through hydrogen bonding to form intermediate 2-(benzylamino)-1-phenylethan-1-ol, which further reacts with dimethyl carbonate activated by [OH-EMIm][OAc], producing oxazolidinone via intramolecular cyclization of the intermediate methyl benzyl(hydroxy(phenyl)methyl)carbamate. Moreover, [OH-EMIm][OAc] could be reused five times without loss of activity. This protocol provides a facile and novel route to oxazolidinones, which may have promising application potential.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"42 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142684897","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}
Pub Date : 2024-11-21DOI: 10.1021/acs.iecr.4c03583
Maida Murtaza, Laiba Saleem, Waqas Ali Shah, Iftikhar Ahmad, Hussain Alawadhi, Amir Waseem
Water splitting has been regarded as one of the most favorable practices in sustainable energy production technologies. Metal organic frameworks (MOFs) have been recognized as potent candidates as electrocatalysts due to their high porosity, faster charge transfer, tunable structure, and large surface area. MOFs with electrically conductive 2D MXene nanosheets can significantly result in enhanced electrocatalytic activity for both the OER and HER. In this work, cobalt aminoterephthalic acid MOF (CoNH2BDC) was combined with vanadium carbide (V2C) MXene via a one-step solvothermal reaction strategy. Credit goes to the high porosity and large surface area of CoNH2BDC; high electrical conductivity and hydrophilicity of V2C for enhanced electrocatalytic activity of CoNH2BDC/V2C, and faster charge transfer across the CoNH2BDC-V2C interface. Among the series of catalysts with varying ratios of V2C and MOF, the catalyst that showed best OER and HER activity in alkaline medium was CoNBDC/VC3, it attained a current density of 10 mA cm–2 at 145 mV for OER and 102 mV Vs. RHE for HER, and a Tafel slope value of 50 mV/dec for OER and 55 mV/dec for HER. We believe that this work is demonstration of highly efficient electrocatalytic performance and construction of such hybrid materials can pave new pathways with regard to developing efficient electrocatalysts for green energy production.
水分离一直被认为是可持续能源生产技术中最有利的做法之一。金属有机框架（MOFs）具有孔隙率高、电荷转移速度快、结构可调以及比表面积大等特点，已被公认为电催化剂的有效候选材料。具有导电性二维 MXene 纳米片的 MOFs 可显著增强 OER 和 HER 的电催化活性。在这项工作中，通过一步溶热反应策略，氨基对苯二甲酸钴 MOF（CoNH2BDC）与碳化钒（V2C）MXene 结合在了一起。这归功于 CoNH2BDC 的高孔隙率和大比表面积；V2C 的高导电性和亲水性增强了 CoNH2BDC/V2C 的电催化活性，并加快了 CoNH2BDC-V2C 界面的电荷转移。在一系列 V2C 和 MOF 比例不同的催化剂中，CoNBDC/VC3 是在碱性介质中显示出最佳 OER 和 HER 活性的催化剂，它在 145 mV 的 OER 和 102 mV 的 RHE 条件下分别达到了 10 mA cm-2 和 10 mA cm-2 的电流密度。RHE 时的电流密度为 10 mA cm-2，OER 的塔菲尔斜率值为 50 mV/dec，HER 的塔菲尔斜率值为 55 mV/dec。我们相信，这项工作展示了高效的电催化性能，而构建这种混合材料可以为开发用于绿色能源生产的高效电催化剂铺平新的道路。
{"title":"Delaminated Vanadium Carbide MXene Supported Two-Dimensional (2D) CoNH2BDC MOF Hybrid for Enhanced Water Splitting","authors":"Maida Murtaza, Laiba Saleem, Waqas Ali Shah, Iftikhar Ahmad, Hussain Alawadhi, Amir Waseem","doi":"10.1021/acs.iecr.4c03583","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03583","url":null,"abstract":"Water splitting has been regarded as one of the most favorable practices in sustainable energy production technologies. Metal organic frameworks (MOFs) have been recognized as potent candidates as electrocatalysts due to their high porosity, faster charge transfer, tunable structure, and large surface area. MOFs with electrically conductive 2D MXene nanosheets can significantly result in enhanced electrocatalytic activity for both the OER and HER. In this work, cobalt aminoterephthalic acid MOF (CoNH<sub>2</sub>BDC) was combined with vanadium carbide (V<sub>2</sub>C) MXene via a one-step solvothermal reaction strategy. Credit goes to the high porosity and large surface area of CoNH<sub>2</sub>BDC; high electrical conductivity and hydrophilicity of V<sub>2</sub>C for enhanced electrocatalytic activity of CoNH<sub>2</sub>BDC/V<sub>2</sub>C, and faster charge transfer across the CoNH<sub>2</sub>BDC-V<sub>2</sub>C interface. Among the series of catalysts with varying ratios of V<sub>2</sub>C and MOF, the catalyst that showed best OER and HER activity in alkaline medium was CoNBDC/VC3, it attained a current density of 10 mA cm<sup>–2</sup> at 145 mV for OER and 102 mV Vs. RHE for HER, and a Tafel slope value of 50 mV/dec for OER and 55 mV/dec for HER. We believe that this work is demonstration of highly efficient electrocatalytic performance and construction of such hybrid materials can pave new pathways with regard to developing efficient electrocatalysts for green energy production.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"34 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142684956","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}
Pub Date : 2024-11-21DOI: 10.1021/acs.iecr.4c02424
Huibo Meng, Jiawei Zhang, Yanfang Yu, Yanfeng Zhao, Deao Li, Kexin Xiang, Yi Ji
The CFD–PBM coupled model was utilized to investigate the liquid–liquid turbulent mixing and enhancement performance in a Lightnin static mixer (LSM). The droplet size distribution (DSD), Sauter mean diameter (d32), and mixing index of the LSM were studied. The effects of the length–diameter ratio (l/D0), gap-diameter ratio (G/D0), and arrangement were analyzed. The correlation among d32/D0, the Fanning friction factor (f), and the Weber number was established. The d32 and Poiseuille number calculated from simulation were in good agreement with experiments, and the d32 decreased by 93.52%. Meanwhile, the analysis of turbulent higher-order moments of DSD showed that the DSD in the L–R LSM with l/D0 = 1 was narrower than that in other static mixers. Gray relational analysis revealed that the addition of gaps in the LSM can improve distribution mixing performance with a lower pressure drop. The L–R LSM with l/D0 = 1 and G/D0 = 1 is recommended based on the enhancement factor and gray analysis.
{"title":"Investigation into Droplet Size Distribution and Turbulent Mixing Enhancement Performance in a Lightnin Static Mixer","authors":"Huibo Meng, Jiawei Zhang, Yanfang Yu, Yanfeng Zhao, Deao Li, Kexin Xiang, Yi Ji","doi":"10.1021/acs.iecr.4c02424","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02424","url":null,"abstract":"The CFD–PBM coupled model was utilized to investigate the liquid–liquid turbulent mixing and enhancement performance in a Lightnin static mixer (LSM). The droplet size distribution (DSD), Sauter mean diameter (<i>d</i><sub>32</sub>), and mixing index of the LSM were studied. The effects of the length–diameter ratio (<i>l</i>/<i>D</i><sub>0</sub>), gap-diameter ratio (G/<i>D</i><sub>0</sub>), and arrangement were analyzed. The correlation among <i>d</i><sub>32</sub>/<i>D</i><sub>0</sub>, the Fanning friction factor (<i>f</i>), and the Weber number was established. The <i>d</i><sub>32</sub> and Poiseuille number calculated from simulation were in good agreement with experiments, and the <i>d</i><sub>32</sub> decreased by 93.52%. Meanwhile, the analysis of turbulent higher-order moments of DSD showed that the DSD in the L–R LSM with <i>l</i>/<i>D</i><sub>0</sub> = 1 was narrower than that in other static mixers. Gray relational analysis revealed that the addition of gaps in the LSM can improve distribution mixing performance with a lower pressure drop. The L–R LSM with <i>l</i>/<i>D</i><sub>0</sub> = 1 and G/<i>D</i><sub>0</sub> = 1 is recommended based on the enhancement factor and gray analysis.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"59 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142684900","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}
A series of ZSM-5 zeolites with different acidities and b-axis diffusion distances were synthesized under hydrothermal conditions using the seed-induced method and characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), ammonia temperature-programmed desorption (NH3-TPD), and infrared spectroscopic analysis of the adsorption of pyridine (Py-IR). The structure–activity relationships of PtFe@S-1&ZSM-5 tandem catalysts in the propane dehydro-aromatization reaction (PDA) were investigated, especially focusing on the impact of ZSM-5 acidity and b-axis diffusion distance. The results indicate that the ZSM-5 zeolite with a low Si/Al ratio (∼25) and suitable b-axis diffusion distance (∼100 nm) coupled with PtFe@S-1 is more conducive on improving the PDA catalytic performance. When the mass ratio of PtFe@S-1/ZSM-5 was 1:1, the propane conversion and aromatics selectivity of PtFe@S-1&ZSM-5–25 remained above 78.9% and 40.5% within 500 min on stream, respectively.
采用种子诱导法在水热条件下合成了一系列具有不同酸度和b轴扩散距离的ZSM-5沸石，并通过X射线衍射（XRD）、扫描电子显微镜（SEM）、透射电子显微镜（TEM）、氨水温度编程解吸（NH3-TPD）和吡啶吸附红外光谱分析（Py-IR）对其进行了表征。研究了 PtFe@S-1&ZSM-5 串联催化剂在丙烷脱氢芳构化反应（PDA）中的结构-活性关系，尤其关注了 ZSM-5 酸度和 b 轴扩散距离的影响。结果表明，低硅/铝比（∼25）和合适的b轴扩散距离（∼100 nm）的ZSM-5沸石与PtFe@S-1联用更有利于提高PDA催化性能。当 PtFe@S-1/ZSM-5 的质量比为 1:1 时，PtFe@S-1&ZSM-5-25 在 500 min 内的丙烷转化率和芳烃选择性分别保持在 78.9% 和 40.5% 以上。
{"title":"PtFe@S-1 Coupling with ZSM-5 for the Propane Dehydro-Aromatization Reaction: The Effect of Acidity and b-Axis Diffusion Distance","authors":"Kai Bian, Sirui Liu, Jiaxing Zhang, Guanghui Zhang, Xinwei Zhang, Gideon Abaidoo Ocran, Mingrui Wang, Quanjie Liu, Shuandi Hou, Xinwen Guo","doi":"10.1021/acs.iecr.4c03194","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03194","url":null,"abstract":"A series of ZSM-5 zeolites with different acidities and <i>b</i>-axis diffusion distances were synthesized under hydrothermal conditions using the seed-induced method and characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), ammonia temperature-programmed desorption (NH<sub>3</sub>-TPD), and infrared spectroscopic analysis of the adsorption of pyridine (Py-IR). The structure–activity relationships of PtFe@S-1&ZSM-5 tandem catalysts in the propane dehydro-aromatization reaction (PDA) were investigated, especially focusing on the impact of ZSM-5 acidity and <i>b</i>-axis diffusion distance. The results indicate that the ZSM-5 zeolite with a low Si/Al ratio (∼25) and suitable <i>b</i>-axis diffusion distance (∼100 nm) coupled with PtFe@S-1 is more conducive on improving the PDA catalytic performance. When the mass ratio of PtFe@S-1/ZSM-5 was 1:1, the propane conversion and aromatics selectivity of PtFe@S-1&ZSM-5–25 remained above 78.9% and 40.5% within 500 min on stream, respectively.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142684954","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}
Pub Date : 2024-11-21DOI: 10.1021/acs.iecr.4c02014
Letsabisa Lerotholi, Raymond C. Everson, Burgert B. Hattingh, Lawrence Koech, Ignus Le Roux, Hein W.J.P. Neomagus, Hilary Rutto
Drying is an important process found in different industries including spray dry scrubbing as used in flue gas desulphurization. Understanding the fundamental processes in drying requires accurate description of turbulence and drying models, which is important in the design and optimization of new processes. Available research in spray dry scrubbing generally picks a single model to describe drying with the key assumption that it is relevant to the case being studied. This work does not make such an assumption but investigated the applicability of three drying models and three turbulence models in analyzing the drying process in a laboratory spray dry scrubber. Computational fluid dynamics was used to model the process employing the Euler–Lagrangian framework. The results from validated models showed that the investigated hindered drying mechanistic model is superior to the often used d2 law and perfect shrinkage models and should therefore be used preferentially in drying applications.
{"title":"Computational Fluid Dynamics Modeling and Analysis of Lime Slurry Drying in a Laboratory Spray Dry Scrubber","authors":"Letsabisa Lerotholi, Raymond C. Everson, Burgert B. Hattingh, Lawrence Koech, Ignus Le Roux, Hein W.J.P. Neomagus, Hilary Rutto","doi":"10.1021/acs.iecr.4c02014","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02014","url":null,"abstract":"Drying is an important process found in different industries including spray dry scrubbing as used in flue gas desulphurization. Understanding the fundamental processes in drying requires accurate description of turbulence and drying models, which is important in the design and optimization of new processes. Available research in spray dry scrubbing generally picks a single model to describe drying with the key assumption that it is relevant to the case being studied. This work does not make such an assumption but investigated the applicability of three drying models and three turbulence models in analyzing the drying process in a laboratory spray dry scrubber. Computational fluid dynamics was used to model the process employing the Euler–Lagrangian framework. The results from validated models showed that the investigated hindered drying mechanistic model is superior to the often used <i>d</i><sup>2</sup> law and perfect shrinkage models and should therefore be used preferentially in drying applications.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"1 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142684903","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}
Pub Date : 2024-11-21DOI: 10.1021/acs.iecr.4c03196
Yupeng Bai, Shiliang Yang, Shuliu Yang, Hua Wang
Fluidized bed roasters are widely employed in the zinc extraction process due to their superior roasting performance and high desulfurization efficiency. To examine the hydrodynamics of gas–solid flow and thermal characteristics within a fluidized bed roaster, the multiphase particle-in-cell (MP-PIC) method is utilized. Following validation of the numerical model, this study elucidates the distribution patterns of gas–solid flow and thermal parameters within the system, as well as the influence of various operational conditions. The results demonstrate that the vertical distribution of particle velocity within the roaster is characterized by higher velocities near the bed center and lower velocities near the wall. Elevated particle velocities are predominantly observed around bubble regions and in the wake vortex areas, reaching values of up to approximately 0.2 m/s. Furthermore, bubble dynamics are found to play a critical role in governing the gas–solid flow characteristics within the reactor. The particle Reynolds number and slip velocity increase markedly with higher superficial gas velocity, with peak values occurring at the gas inlet, bubble regions, and freeboard region.
{"title":"CFD Study of Roasting Hydrodynamics in Fluidized Bed Roaster of Zinc Sulfide Concentrate","authors":"Yupeng Bai, Shiliang Yang, Shuliu Yang, Hua Wang","doi":"10.1021/acs.iecr.4c03196","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03196","url":null,"abstract":"Fluidized bed roasters are widely employed in the zinc extraction process due to their superior roasting performance and high desulfurization efficiency. To examine the hydrodynamics of gas–solid flow and thermal characteristics within a fluidized bed roaster, the multiphase particle-in-cell (MP-PIC) method is utilized. Following validation of the numerical model, this study elucidates the distribution patterns of gas–solid flow and thermal parameters within the system, as well as the influence of various operational conditions. The results demonstrate that the vertical distribution of particle velocity within the roaster is characterized by higher velocities near the bed center and lower velocities near the wall. Elevated particle velocities are predominantly observed around bubble regions and in the wake vortex areas, reaching values of up to approximately 0.2 m/s. Furthermore, bubble dynamics are found to play a critical role in governing the gas–solid flow characteristics within the reactor. The particle Reynolds number and slip velocity increase markedly with higher superficial gas velocity, with peak values occurring at the gas inlet, bubble regions, and freeboard region.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"1 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142684961","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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