Reaction Chemistry & Engineering最新文献_第6页

Formation of the E-isomer as an impurity in the optimized flow synthesis of a Z-α-thio-β-chloroacrylamide; E/Z photoisomerization in batch and flow, and solid state characterization of both isomers† 优化流动合成Z-α-硫-β-氯丙烯酰胺过程中杂质e异构体的形成E/Z在间歇和流动中的光异构化，以及两种异构体的固态表征

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2025-05-12 DOI: 10.1039/D5RE00137D

Olga C. Dennehy, Denis Lynch, U. B. Rao Khandavilli, Simon E. Lawrence, Stuart G. Collins, Anita R. Maguire and Humphrey A. Moynihan

{"title":"Formation of the E-isomer as an impurity in the optimized flow synthesis of a Z-α-thio-β-chloroacrylamide; E/Z photoisomerization in batch and flow, and solid state characterization of both isomers†","authors":"Olga C. Dennehy, Denis Lynch, U. B. Rao Khandavilli, Simon E. Lawrence, Stuart G. Collins, Anita R. Maguire and Humphrey A. Moynihan","doi":"10.1039/D5RE00137D","DOIUrl":"https://doi.org/10.1039/D5RE00137D","url":null,"abstract":" N-(4-Methylphenyl)-Z-3-chloro-2-(phenylthio)propenamide (Z-3), which is valuable as a reactive substrate for a range of synthetic transformations, can be obtained by a three-step process involving both batch and flow methodologies. Compound Z-3 was isolated as a crystalline material of high purity, however, the E-isomer, E-3, was found to form in solid samples of Z-3 material during storage. Increased ratios of E-3 and pure isolated samples were obtained by photoisomerization in batch and flow modes, with the flow process being optimal in terms of process time. Crystal structure analysis of both the Z and E isomers highlighted key differences in molecular conformations and supramolecular interactions with greater deviation from planarity evident in E-3 relative to Z-3. Analysis of samples of Z-3 by PXRD and DSC after recrystallization from a variety of solvents gave data consistent with the determined crystal structure of Z-3.","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 8","pages":" 1878-1886"},"PeriodicalIF":3.4,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/re/d5re00137d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144680963","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Acidic ionic liquid-decorated covalent organic framework TpPa–SO3H: a reusable solid acid catalyst used for sustainable biodiesel production from low-grade acidic oils 酸性离子液体修饰的共价有机框架TpPa-SO3H：一种可重复使用的固体酸催化剂，用于从低品位酸性油中可持续生产生物柴油

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2025-05-12 DOI: 10.1039/D4RE00501E

Xingyi Jia, Wenlei Xie and Heping Li

{"title":"Acidic ionic liquid-decorated covalent organic framework TpPa–SO3H: a reusable solid acid catalyst used for sustainable biodiesel production from low-grade acidic oils","authors":"Xingyi Jia, Wenlei Xie and Heping Li","doi":"10.1039/D4RE00501E","DOIUrl":"https://doi.org/10.1039/D4RE00501E","url":null,"abstract":"Hierarchical porous solid catalysts, with features such as large surface area, low mass transfer resistance, and high accessibility of active sites, have emerged as ideal catalysts for promoting large biomass molecule-involving reactions. In this study, an acidic ionic liquid [PrSO3HMIM] [HSO4] loaded covalent organic framework (COF) solid catalyst (xAIL@TpPa–SO3H) was developed as an effective and recoverable catalyst for the efficient production of biodiesel. The solid catalysts featuring hierarchical porous structure and high surface acidities effectively improved the mass diffusion rate of oily macromolecules and easy accessibility of active sites. This catalyst demonstrated enhanced activities in the transesterification of triglycerides and esterification of free fatty acids (FFAs) simultaneously, which could achieve one-step production of biodiesel from low-grade acidic oils. Under the optimal conditions of a methanol to soybean oil molar ratio of 30 : 1, 10 wt% of catalyst loading (relative to the used soybean oil), and reaction temperature of 120 °C for 8 h, an oil conversion of 93.9% and full FFA conversion could be concurrently attained by adopting this developed catalyst. Kinetic studies have identified that the apparent activation energy Ea of the oil transesterification was 45.36 kJ mol−1. Additionally, this catalyst exhibited satisfactory acid- and water-resistance even with an FFA level of 40% and water content of 4%, and after four times of reuse, over 80% oil conversion could still be attained, hereby posing its high potential for sustainable and green production of biodiesel particularly with low-grade acidic oils as feedstocks.","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 8","pages":" 1932-1948"},"PeriodicalIF":3.4,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144680968","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Performance of a gliding arc plasmatron pilot reactor with an integrated carbon bed and recirculation for upscaled CO2 conversion† 滑动电弧等离子体先导反应器的性能与集成的碳床和再循环的升级二氧化碳转化†

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2025-05-09 DOI: 10.1039/D5RE00190K

Robbe Bryssinck, Gregory James Smith, Colin O'Modhrain, Tom Van Assche, Georgi Trenchev and Annemie Bogaerts

{"title":"Performance of a gliding arc plasmatron pilot reactor with an integrated carbon bed and recirculation for upscaled CO2 conversion†","authors":"Robbe Bryssinck, Gregory James Smith, Colin O'Modhrain, Tom Van Assche, Georgi Trenchev and Annemie Bogaerts","doi":"10.1039/D5RE00190K","DOIUrl":"https://doi.org/10.1039/D5RE00190K","url":null,"abstract":"In this work, we investigated the performance of a multi-reactor gliding arc plasmatron (MRGAP) pilot reactor with an integrated carbon bed and recirculation. Experimentally, we varied the following parameters: carbon bed position, total flow rate, recirculation and a semi-continuous feeding system. The optimum operating conditions were found to be with the carbon bed located closest to the reactor outlets (35 mm) at a flow rate of 50 L min−1 with a semi-continuous carbon feed. Under these conditions, we obtain a maximum CO2 conversion of 20%, corresponding to a conversion rate of 1068 g h−1 and a CO concentration of 33 vol% at the outlet. The plug-power based energy cost (EC) for these optimum conditions was 5.8 MWh tCO−1 (1.2 MJ molCO2−1). When implementing a gas recirculation stage, the CO2 conversion increases from 10.3% to 12.7%, but the EC rises from 10.9 MWh tCO−1 to 13.7 MWh tCO−1. To complement the experimental work, we also developed a 2D model of the post-plasma chamber, coupled to a simple model for the plasma reactor. The model enables further insights into the effect of the carbon bed position and temperature on the performance, and confirms that when the carbon bed is positioned closer to the inlets, the performance increases. Both experimental and modelling results indicate that the integration of a carbon bed into an industrial scale plasma reactor is viable and can improve both the CO2 conversion and energy metrics.","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 8","pages":" 1910-1923"},"PeriodicalIF":3.4,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144680966","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A modular, reusable biocatalytic flow system for UDP-GlcNAc production† 用于生产UDP-GlcNAc的模块化、可重复使用的生物催化流程系统。

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2025-05-09 DOI: 10.1039/D5RE00127G

Tom L. Roberts, Jonathan P. Dolan, Gavin J. Miller, Marcelo A. D. Lima and Sebastian C. Cosgrove

引用次数: 0

Can the direct conversion of biomass-derived formic acid be efficient for hydrogen generation?† 生物质衍生甲酸的直接转化是否能有效产氢？__

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2025-05-08 DOI: 10.1039/D5RE00157A

Daniil Zhuravlev, Alexander Lisitsyn, Nikolay Gromov, Tatiana Medvedeva, Olga Ogorodnikova, Dmitry Svintsitskiy, Olga Stonkus, Sergei Khairulin and Olga Podyacheva

{"title":"Can the direct conversion of biomass-derived formic acid be efficient for hydrogen generation?†","authors":"Daniil Zhuravlev, Alexander Lisitsyn, Nikolay Gromov, Tatiana Medvedeva, Olga Ogorodnikova, Dmitry Svintsitskiy, Olga Stonkus, Sergei Khairulin and Olga Podyacheva","doi":"10.1039/D5RE00157A","DOIUrl":"https://doi.org/10.1039/D5RE00157A","url":null,"abstract":"The possibilities of hydrogen generation from renewable sources through the intermediate formation of formic acid (FA) (Biomass → FA → H2, the BFH process) have been investigated. The commonly employed hydrolysis–oxidation of biomass in the presence of Mo–V–P heteropoly acids (HPAs) was used to produce FA, and the latter was further selectively decomposed to H2 on a suitable Pd catalyst. The low concentration of FA in the solutions expectedly decreased the rate of its decomposition, but the strongest adverse effect was found from HPAs remaining in the solution after the first stage. The XPS study showed a strong interaction between HPAs and the Pd catalyst, which could cause complete oxidation and poisoning of the Pd surface. Given that such an interaction was minimized (via the nature of HPA and/or purification of the reaction mixture), the catalyst with Pd single atoms and nanoclusters on N-doped carbon nanotubes provided the initial rate as high as 120 L H2/gPd h and complete conversion of FA into the targeted product even in dilute solutions (0.044 M, 50 °C). The results demonstrate efficiency of the BFH process and indicate the means for further improvements.","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 8","pages":" 1924-1931"},"PeriodicalIF":3.4,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144680967","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Prediction and evaluation of multiple output machine learning methods for ethylene oligomerization and aromatization kinetics modeling† 乙烯齐聚和芳构化动力学建模的多输出机器学习方法的预测和评价

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2025-05-07 DOI: 10.1039/D4RE00586D

Bingbing Luo and Fang Jin

{"title":"Prediction and evaluation of multiple output machine learning methods for ethylene oligomerization and aromatization kinetics modeling†","authors":"Bingbing Luo and Fang Jin","doi":"10.1039/D4RE00586D","DOIUrl":"https://doi.org/10.1039/D4RE00586D","url":null,"abstract":"With the increase in industrial automation, data-driven machine learning models are becoming more and more popular due to their simplicity and less workload. The datasets calculated by the single-event kinetic model are analyzed in combination with three algorithms, such as the K-nearest neighbor (KNN), artificial neural network (ANN) method, and random forest regression (RF), in order to find the optimal machine learning model by comparing the predictions of the kinetic model. Specifically, the RF algorithm is the optimal method, and the RF model is well explained using the SHapley Additive exPlanations (SHAP) method, which is transformed to derive the effect of the input feature variables on product yields. The relative contribution of each input variable calculated from SHAP indicates that for light olefin (O2–O4) yields, space time > temperature > Si/Al ratio > pressure, for long-chain olefin (O5–O7) yields, temperature > space time > Si/Al ratio > pressure, and for aromatic (A6–A8) yields, temperature > Si/Al ratio > space time > Si/Al ratio > pressure. By combining kinetic rules, the RF model can be used as an alternative to the kinetic model. The input feature law of the SHAP calculations is consistent with the single-event kinetic analysis results according to the acid strength of zeolite and can be extended to the propane aromatization.","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 8","pages":" 1776-1794"},"PeriodicalIF":3.4,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144680943","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Photocatalytic evolution of nitrous oxide from nitric monoxide over Pt-loaded titanium dioxide under UV irradiation† 紫外光照射下负载pt的二氧化钛上氧化一氮的光催化演化

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2025-05-07 DOI: 10.1039/D5RE00119F

Ryo Asayama, Masanori Takemoto, Arata Suzuki, Ryuichi Watanabe, Fuminao Kishimoto, Kenta Iyoki, Tatsuya Okubo and Toru Wakihara

引用次数: 0

Microcrystalline cellulose-based, nitrogen-doped carbon nanoflakes for adsorption of uranium and thorium† 微晶纤维素基，氮掺杂碳纳米片对铀和钍†的吸附

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2025-05-06 DOI: 10.1039/D4RE00613E

Kiran Gupta, Ruchi Aggarwal, Manish Sharma, Ranju Yadav, Ragini Gupta, Gunnar Westman and Sumit Kumar Sonkar

引用次数: 0

Advanced adsorptive removal of dimethyl phthalate from water using a tertiary amine-functionalized polymeric resin: insights into experimental design and statistical analysis 使用叔胺功能化聚合树脂从水中吸附去除邻苯二甲酸二甲酯：对实验设计和统计分析的见解

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2025-05-05 DOI: 10.1039/D5RE00124B

Kübranur Türekkan, Yaşar Kemal Recepoğlu, Duygu Ova Özcan and Özgür Arar

{"title":"Advanced adsorptive removal of dimethyl phthalate from water using a tertiary amine-functionalized polymeric resin: insights into experimental design and statistical analysis","authors":"Kübranur Türekkan, Yaşar Kemal Recepoğlu, Duygu Ova Özcan and Özgür Arar","doi":"10.1039/D5RE00124B","DOIUrl":"https://doi.org/10.1039/D5RE00124B","url":null,"abstract":"This study investigates the effective removal of dimethyl phthalate (DMP) from aqueous solutions using Purolite Macronet MN100, a polymer-based adsorbent containing tertiary amine functional groups. A series of batch experiments was performed to assess the influence of resin dosage and solution pH, while adsorption kinetics were analyzed to determine the optimal contact time and the underlying rate-limiting mechanism. Equilibrium data were interpreted using adsorption isotherm models, and thermodynamic parameters (ΔG°, ΔH°, and ΔS°) were calculated to evaluate the feasibility and spontaneity of the process. Additionally, the effect of common coexisting ions in wastewater (Na+, K+, Mn2+, Ca2+, Mg2+) on DMP removal was examined. The optimum removal efficiency (>97%) was achieved using 0.02 g of resin per 25 mL solution at pH 2–6, with equilibrium established within 300 minutes. The adsorption behavior was best described by the Langmuir isotherm, indicating monolayer adsorption with a maximum capacity of 463.37 mg g−1. Mechanistic evaluation revealed that π–π interactions and hydrogen bonding were the dominant forces driving DMP adsorption. The presence of competing cations had minimal impact, demonstrating the adsorbent's strong selectivity toward DMP. Desorption studies showed complete DMP recovery using absolute ethanol (>99%), with >99% regeneration efficiency. Optimization using Central Composite Design (CCD) under Response Surface Methodology (RSM) produced a statistically robust model (R2 = 0.98), consistent with the experimental results. Overall, Purolite MN100 proved to be a highly efficient, selective, and regenerable adsorbent suitable for DMP removal in wastewater treatment processes.","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 8","pages":" 1897-1909"},"PeriodicalIF":3.4,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144680965","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

New-fashioned MnOx/g-C3N4@ZIF-8 catalyst for the liquid-phase selective oxidation of toluene in the absence of solvent or additives† 新型MnOx/g-C3N4@ZIF-8催化剂在无溶剂或添加剂的情况下液相选择性氧化甲苯†

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2025-05-01 DOI: 10.1039/D5RE00058K

Sihang Lu, Wenkai Chen, Gui Chen, Shaobin Deng, Dexuan Xiang, Haizhou Zhang, Yuanxiang Li, Bailin Xiang and Ye Yuan

引用次数: 0