Reaction Chemistry & Engineering最新文献_第8页

Transesterification or polymerization? Reaction mechanism and kinetics of 2-(diethylamino)ethyl methacrylate with methanol and the competitive effect on free-radical polymerization† 酯交换还是聚合？2-（二乙胺）甲基丙烯酸乙酯与甲醇的反应机理、动力学及其对自由基聚合的竞争效应

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2024-10-21 DOI: 10.1039/D4RE00406J

Judith Cabello-Romero, Román Torres-Lubián, Javier Francisco Enríquez-Medrano, Adrián Ochoa-Terán, Jesús Jara-Cortés and Iván Zapata-González

{"title":"Transesterification or polymerization? Reaction mechanism and kinetics of 2-(diethylamino)ethyl methacrylate with methanol and the competitive effect on free-radical polymerization†","authors":"Judith Cabello-Romero, Román Torres-Lubián, Javier Francisco Enríquez-Medrano, Adrián Ochoa-Terán, Jesús Jara-Cortés and Iván Zapata-González","doi":"10.1039/D4RE00406J","DOIUrl":"https://doi.org/10.1039/D4RE00406J","url":null,"abstract":"Transesterification of 2-(diethylamino)ethyl methacrylate (DEAEMA) with methanol leads to the formation of methyl methacrylate (MMA) and 2-(diethylamino)ethanol; this alcoholysis reaction is studied by Density Functional Theory (DFT) calculations and in situ1H-NMR measurements. The transesterification mechanism involves the cooperative effect of methanol. Second-order transesterification kinetics and Arrhenius parameters (A and Ea) are reported. Furthermore, the competition between transesterification and (co)polymerization between DEAEMA and the MMA transesterification product, using 2,2-azobis (2-methylpropionitrile) (AIBN) as an initiator at 70 °C, has been analysed. In experiments with a DEAEMA : methanol molar ratio of 1 : 46 the copolymerization results in a large proportion of the MMA copolymer composition (FMMA) of 60 mol%; with an equimolar ratio the transesterification is avoided and the FMMA is only 2 mol%. FMMA can also be tuned by modification of the DEAEMA : AIBN molar ratio. Therefore, this work provides guidelines for the synthesis of well-defined poly(DEAEMA) and poly(DEAEMA-co-MMA) in primary alcohols.","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 177-190"},"PeriodicalIF":3.4,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142844650","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}

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Development and simulation of annular flow photoreactors: integration of light-diffusing fibers as optical diffusers with laser diodes† 环形流光反应器的发展与模拟：光漫射光纤与激光二极管的集成

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2024-10-17 DOI: 10.1039/D4RE00400K

Sergio Carrillo De Hert, Rafael Lopez-Rodriguez, Michael J. Di Maso, Jonathan P. McMullen and Steven Ferguson

{"title":"Development and simulation of annular flow photoreactors: integration of light-diffusing fibers as optical diffusers with laser diodes†","authors":"Sergio Carrillo De Hert, Rafael Lopez-Rodriguez, Michael J. Di Maso, Jonathan P. McMullen and Steven Ferguson","doi":"10.1039/D4RE00400K","DOIUrl":"https://doi.org/10.1039/D4RE00400K","url":null,"abstract":"Continuous flow chemical photoreactors have emerged as a highly attractive platform, garnering considerable attention in both industry and academia. Utilizing thin channels, these reactors offer a promising solution for achieving more uniform irradiation in the reactor volume. While advancements have been enabled by the implementation of LEDs, significant limitations persist. These include managing the heat generated by light emitting diodes (LEDs), requiring proximity of electrical equipment and hot surfaces to flammable environments, ensuring operator safety amidst high levels of irradiating light, and addressing efficiency issues arising from irradiation of unintended areas, light scattering, and divergent photon emission. Herein, we introduce a novel approach that involves guiding photons emitted by a laser diode via total reflection optic fiber to an optical diffuser inside the reactor, specifically a light-diffusing fiber (LDF). This system capitalizes on the radial photon distribution capability of LDFs to irradiate the tubular annulus, enclosing all irradiation within it. The Continuous Annular Photoreactor (CAP-Flow system) effectively divorces photon generation from potentially explosive environments, enhancing safety, and operational convenience. The CAP-Flow system underwent testing via actinometry and a C–N coupling reaction across various flow rates and catalyst loadings. Our results found superior efficiency for the CAP-Flow system when compared to current LED configurations. The defined geometry, flow-field and photon absorption distribution facilitated mathematical modeling to de-convolute the reaction kinetics governing the photocatalytic process, offering valuable insights for optimizing operational parameters to enhance process understanding, productivity, and selectivity.","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 251-266"},"PeriodicalIF":3.4,"publicationDate":"2024-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/re/d4re00400k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142844657","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

Bifunctional catalysts for the coupling processes of CO2 capture and conversion: a minireview 用于二氧化碳捕获和转化耦合过程的双功能催化剂：小视角

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2024-10-17 DOI: 10.1039/D4RE00334A

Chengxiong Dang and Hao Yu

{"title":"Bifunctional catalysts for the coupling processes of CO2 capture and conversion: a minireview","authors":"Chengxiong Dang and Hao Yu","doi":"10.1039/D4RE00334A","DOIUrl":"https://doi.org/10.1039/D4RE00334A","url":null,"abstract":"The integrated CO2 capture and utilization (ICCU) process can simultaneously achieve the reduction of CO2 emissions and the production of high-value products. Bifunctional catalysts with coupled catalytic and adsorption functions show great potential in the realization of ICCU. The aim of this study is to comprehensively review the recent research progress in the development of bifunctional catalysts. We first review the bifunctional catalysts used in the integrated CO2 capture and hydrogenation reaction including the RWGS and methanation reaction (ICCU-RWGS and ICCU-methanation). The effects of the adsorbent and catalyst components of bifunctional catalysts on the performance of ICCU-RWGS and ICCU-methanation including adsorption efficiency and catalytic activity are summarized. Then, we present the bifunctional catalysts applied in the integrated CO2 capture and dry reforming reaction (ICCU-DR). The optimization of bifunctional catalysts to improve their cyclic stability is reviewed. Finally, the applications of bifunctional catalysts that were developed for the integrated ICCU and sorption-enhanced steam reforming (SESR) reaction are demonstrated.","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 10-21"},"PeriodicalIF":3.4,"publicationDate":"2024-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142844633","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

Kinetic insights into structure sensitivity of Ru catalyzed l-alanine hydrogenation to alaninol† Ru 催化 l-丙氨酸加氢生成丙氨醇的结构敏感性的动力学启示

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2024-10-17 DOI: 10.1039/D4RE00420E

Rui Song, Chang Yao, Wenhua Li, Nihong An, Yafeng Shen, Nina Fei, Xiaohu Ge, Yueqiang Cao, Xuezhi Duan and Xinggui Zhou

{"title":"Kinetic insights into structure sensitivity of Ru catalyzed l-alanine hydrogenation to alaninol†","authors":"Rui Song, Chang Yao, Wenhua Li, Nihong An, Yafeng Shen, Nina Fei, Xiaohu Ge, Yueqiang Cao, Xuezhi Duan and Xinggui Zhou","doi":"10.1039/D4RE00420E","DOIUrl":"https://doi.org/10.1039/D4RE00420E","url":null,"abstract":"Hydrogenation achieved on supported metal catalysts is normally structure sensitive, and comprehensive understanding of such sensitivity is pivotal for gaining insights into the active sites as well as the design of catalysts. Herein, a series of differently sized Ru nanoparticles supported on carbon nanotube (CNT) were prepared and employed as catalysts for L-alanine hydrogenation to examine the structure sensitivity of amino acid hydrogenation. The reaction rates for L-alanine conversion and the formation of alaninol are demonstrated to be strongly dependent on the sizes of Ru nanoparticles, highlighting the structure sensitivity of the L-alanine hydrogenation. The activation energies extracted from kinetic studies are insensitive to the sizes of Ru nanoparticles on the Ru catalysts sized ≥1.3 nm with similar electronic properties, pointing to a predominant type of active site for L-alanine hydrogenation. By further combining model calculations with the shape of Ru nanoparticles determined by transmission electron microscopy, the Ru(101) sites are identified as the dominant active sites for L-alanine conversion and alaninol formation, which is further rationalized by density functional theory calculations. The kinetic insights into such structure sensitivity are believed to be important for the design and optimization of catalysts for the reaction.","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 135-145"},"PeriodicalIF":3.4,"publicationDate":"2024-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142844637","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

Linear scaling relationships in homogeneous photoredox catalysis† 均相光氧化催化中的线性比例关系†。

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2024-10-15 DOI: 10.1039/D4RE00419A

Kareesa J. Kron and Shaama Mallikarjun Sharada

引用次数: 0

Immobilization of cationic dye on photoluminescent hydroxyapatite particles through a citric acid bonding layer† 通过柠檬酸键合层将阳离子染料固定在光致发光羟基磷灰石颗粒上†。

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2024-10-14 DOI: 10.1039/D4RE00277F

Daichi Noda, Wanyu Shi, Aiga Yamada, Zizhen Liu and Motohiro Tagaya

引用次数: 0

Kinetics of the valorization of hexoses with Sn-USY catalysts in methanolic media: glycosidation vs. retroaldol cleavage† 在甲醇介质中使用 Sn-USY 催化剂进行己糖价值化的动力学：糖苷化与逆醛醇裂解†。

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2024-10-09 DOI: 10.1039/D4RE00307A

J. M. Jimenez-Martin, M. El Tawil-Lucas, C. García-Jerez, J. Moreno, A. García, B. Hernández and J. Iglesias

{"title":"Kinetics of the valorization of hexoses with Sn-USY catalysts in methanolic media: glycosidation vs. retroaldol cleavage†","authors":"J. M. Jimenez-Martin, M. El Tawil-Lucas, C. García-Jerez, J. Moreno, A. García, B. Hernández and J. Iglesias","doi":"10.1039/D4RE00307A","DOIUrl":"https://doi.org/10.1039/D4RE00307A","url":null,"abstract":"Catalytic performance of potassium-exchanged Sn-containing USY zeolite ([K]Sn-USY) for the transformation of hexoses into methyl lactate in methanol has been studied. This work explores the effects of temperature and catalyst loading on this transformation process, shedding light on the kinetic aspects of this process in which the starting sugars undergo a complex network of different transformations to yield different biobased products with commercial interest. The proposed kinetic model integrates several key reactions: isomerization of the starting sugars, glycosidation with the alcohol solvent, retro-aldol cleavage of carbohydrates to minor sugars, and hydrolytic side transformations. By considering these steps, insights into the determining factors that influence overall transformation and high selectivity of the [K]Sn-USY zeolite for methyl lactate are clarified. Notably, this work highlights the formation of side products, including methoxy methyl 2-hydroxy-butanoate (MMHB) and glycolaldehyde dimethyl acetal (GADMA), which have been previously overlooked in other kinetic modelling and derived from the retroaldol cleavage of aldoses. The [K]Sn-USY catalysts exhibit promising activity and selectivity, making them attractive candidates for bio-based plastic production. A comprehensive understanding of the catalytic behavior and side product formation contributes to the optimization of these catalysts for sustainable carbohydrate valorization.","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 90-105"},"PeriodicalIF":3.4,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/re/d4re00307a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142844670","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

Technoeconomic analysis of fine chemical electrosynthesis: a case study using electrooxidation of 2-methylnaphthelene to vitamin K3† 精细化学电合成的技术经济分析：以2-甲基萘电氧化制维生素K3†为例

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2024-10-08 DOI: 10.1039/D4RE00346B

Qifeng Yang, Liping Liang, Ning Xu, Yang Li, Zhihui Wang, Dadong Shen and Yiming Mo

{"title":"Technoeconomic analysis of fine chemical electrosynthesis: a case study using electrooxidation of 2-methylnaphthelene to vitamin K3†","authors":"Qifeng Yang, Liping Liang, Ning Xu, Yang Li, Zhihui Wang, Dadong Shen and Yiming Mo","doi":"10.1039/D4RE00346B","DOIUrl":"https://doi.org/10.1039/D4RE00346B","url":null,"abstract":"Electroorganic synthesis has received significant attention due to its environmentally friendly nature, offering the potential to replace traditional hazardous chemical production routes. However, an in-depth technoeconomic analysis (TEA) of electrosynthesis technology is still necessary to objectively assess the economic viability of this technology as an alternative to the traditional chemical syntheses. In this study, we used the cerium-mediated electrosynthesis of 2-methyl-1,4-naphthoquinone (2-MNQ, also known as vitamin K3) as a case study. The process development was conducted in both small-scale and large-scale electrochemical flow cells with 6.25 cm2 and 208 cm2 electrode sizes, respectively, to investigate the process scalability. Under the optimal conditions, a 66% yield was achieved for 2-MNQ with 90% faradaic efficiency at 50 mA cm−2 current density. We performed a comprehensive TEA on the key factors influencing electroorganic synthesis, including current density, electrode cost and lifespan, membranes, and electricity price. Furthermore, considering ongoing technological advancements in electrodes, membranes, and renewable electricity generation, we analyzed the trend of future projected cost reductions for electrosynthesis processes.","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 79-89"},"PeriodicalIF":3.4,"publicationDate":"2024-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142844669","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

C12 aromatic triol-furoin and diol-furil from bio-based 5-(hydroxymethyl)furfural: enhanced selective synthesis, scale-up and mechanistic insight into cyclic catalysis† 从生物基5-（羟甲基）糠醛中提取C12芳香三醇-呋喃和二醇-呋喃：增强选择性合成，扩大规模和循环催化机理研究†

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2024-10-07 DOI: 10.1039/D4RE00212A

Thi Tuyet Thuy Vu, Shentan Liu, Mantas Jonušis, Simona Jonušienė, Jinsik Choi, Mohamed Ismail, Nicola Rehnberg, Rajni Hatti-Kaul and Sang-Hyun Pyo

{"title":"C12 aromatic triol-furoin and diol-furil from bio-based 5-(hydroxymethyl)furfural: enhanced selective synthesis, scale-up and mechanistic insight into cyclic catalysis†","authors":"Thi Tuyet Thuy Vu, Shentan Liu, Mantas Jonušis, Simona Jonušienė, Jinsik Choi, Mohamed Ismail, Nicola Rehnberg, Rajni Hatti-Kaul and Sang-Hyun Pyo","doi":"10.1039/D4RE00212A","DOIUrl":"https://doi.org/10.1039/D4RE00212A","url":null,"abstract":"In this study, we investigate the valorization of 5-(hydroxymethyl)furfural (5-HMF), a versatile and pivotal renewable C6 platform chemical, into a C12 heteroaromatic triol, 5,5′-bis(hydroxymethyl)furoin (DHMF), and a C12 heteroaromatic diol, 5,5′-bis(hydroxymethyl)furil (BHMF). The carboligation of 5-HMF to DHMF is catalyzed by an N-heterocyclic carbene, 1,3,4-triphenyl-4,5-dihydro-1H-1,2,4-triazol-5-ylidene (TPT), generated in situ from its stable methoxy adduct, 5-methoxy-1,3,4-triphenyl-4,5-dihydro-1H-1,2,4-triazoline (TPA-OMe). This reaction achieves quantitative yield in dimethyl carbonate, a more environmentally friendly solvent. The resulting DHMF precipitate was readily purified via simple filtration and washing. Moreover, an enhanced selective oxidation was conducted at the secondary hydroxyl group of DHMF to generate the ketone group of BHMF in quantitative yield by using organo-catalysts, anionic exchanger, and NaOH. We proposed and subsequently validated a cyclic catalysis mechanism for the oxidation through the colorimetric detection of the by-product, H2O2, in the reaction. All synthetic processes to produce these C12 triol-furoin and diol-furil compounds were successfully demonstrated on a scale ranging from 20 to 400 grams. The feasibility of these processes was established with high yields achieved under moderate reaction conditions and ambient pressure, making them suitable for large-scale production. Consequently, these C12 multi-functional chemicals can find applications in the production of bio-based aromatic polymers such as polyesters, polyurethanes, and polycarbonates.","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 70-78"},"PeriodicalIF":3.4,"publicationDate":"2024-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/re/d4re00212a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142844668","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

ChemPren: a new and economical technology for conversion of waste plastics to light olefins ChemPren：将废塑料转化为轻质烯烃的新型经济技术

IF 3.4 3区化学

Reaction Chemistry & Engineering Pub Date : 2024-10-07 DOI: 10.1039/D4RE00354C

Anne Gaffney, Debtanu Maiti, Debasish Kuila and Gennaro Mafia

{"title":"ChemPren: a new and economical technology for conversion of waste plastics to light olefins","authors":"Anne Gaffney, Debtanu Maiti, Debasish Kuila and Gennaro Mafia","doi":"10.1039/D4RE00354C","DOIUrl":"https://doi.org/10.1039/D4RE00354C","url":null,"abstract":"With the ever-increasing demand for plastics, sustainable recycling methods are key necessities. The current plastics industry can manage to recycle only 10% of the 400 million metric tons of plastic produced globally. Waste plastics, in the current infrastructure, land up mostly in landfills. Although a lot of research efforts have been spent on processing and recycling co-mingled mixed plastics, energy-efficient sustainable and scalable routes for plastic upcycling are still lacking. Catalytic valorization of waste plastic feedstock is one of the potential scalable routes for plastic upcycling. Silica-alumina based materials, and zeolites have shown a lot of promise. A major interest lies in restricting catalyst deactivation, and refining product selectivity and yield for such catalytic processes. This article highlights ChemPren technology as a clean energy solution to waste plastic recycling. Co-mingled, mixed plastic feedstock along with spray dried, attrition resistant, ZSM-5 containing catalysts is preprocessed with an extruder to form optimally sized particles and fed into a fluidized bed reactor for short contact times to produce selectively and in high yields ethylenes, propylenes and butylenes. This techno-economic perspective indicates that the ChemPren technology can produce propylene at $0.16 per lb, whereas the current selling price of virgin propylene is $0.54 per lb. This technology can serve as a platform for mixed plastic upcycling, with more advancements necessary in the form of robust and resilient catalysts and reactor operation strategies for tuning product selectivity.","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 12","pages":" 3100-3104"},"PeriodicalIF":3.4,"publicationDate":"2024-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142672264","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