Reactions Pub Date : 2025-12-05 DOI: 10.3390/reactions6040069

Jie Luo, Zhigang Que, Ke Zhang, Yinxuan Fu, Xiaodi Cheng, Rong Huang, Jinming Shi, Haiwei Jiang, Xianbin Ai, Tonghui Deng, Xianhua Qiu, Chunbao Xu

{"title":"Optimization and Kinetic Study of Palmitic Acid Esterification with Subcritical Methanol via Response Surface Methodology","authors":"Jie Luo, Zhigang Que, Ke Zhang, Yinxuan Fu, Xiaodi Cheng, Rong Huang, Jinming Shi, Haiwei Jiang, Xianbin Ai, Tonghui Deng, Xianhua Qiu, Chunbao Xu","doi":"10.3390/reactions6040069","DOIUrl":"https://doi.org/10.3390/reactions6040069","url":null,"abstract":"Biodiesel is a green, low-carbon, and renewable fuel with the potential to substitute fossil fuels. The effects of reaction temperature (175–290 °C), residence time (5–75 min), and molar ratio of methanol to palmitic acid (6:1–35:1) on the non-catalytic esterification of palmitic acid with methanol to produce biodiesel were investigated by using a batch reactor. Moreover, the reaction parameters were optimized by using the response surface methodology (RSM), and the reaction kinetics were analyzed. The results showed that the conversion rate of palmitic acid to methyl palmitate increased to 100% as the reaction temperature rose from 175 °C to 225 °C, slightly changed until 275 °C, and then decreased to 94.81% at 290 °C. The conversion rate increased with residence time and reached the maximum value of 94.93% at 60 min. With increasing the molar ratio, the conversion rate rose to a maximum value of 85.46% at 15:1 and subsequently decreased. RSM results indicated the relative influence of factors on the conversion rate as reaction temperature > residence time > molar ratio. The optimal reaction parameters were 224 °C, 26 min, and a molar ratio of 16:1, affording a palmitic acid conversion rate of 99.30%. The esterification reaction between methanol and palmitic acid follows the first-order kinetics model.","PeriodicalId":20873,"journal":{"name":"Reactions","volume":"6 4","pages":"69-69"},"PeriodicalIF":0.0,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.mdpi.com/2624-781X/6/4/69/pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147921311","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Efficient Copolymerization of CO2 and Propylene Oxide via ZnGA/Zn-Co DMC Composite Catalysts: Synergistic Catalysis for High-Performance Polypropylene Carbonate zga /Zn-Co - DMC复合催化剂催化CO2与环氧丙烷的高效共聚：高性能碳酸聚丙烯的协同催化

Reactions Pub Date : 2025-04-29 DOI: 10.3390/reactions6020030

Shuqin Miao, X. Wu, Delong Ding, Chunliang Ge, Weihua Shen, Yi Yang, Yunjin Fang

引用次数: 1

Two-Dimensional Lamellar Stacked Bi2O3/CeO2 Type-II Heterojunctions Promote Carrier Separation to Enhance Ciprofloxacin Oxidation 二维层状堆叠Bi2O3/CeO2型异质结促进载流子分离，增强环丙沙星氧化

Reactions Pub Date : 2025-04-23 DOI: 10.3390/reactions6020029

Lihong Chen, Xiufei Zhao, Kuo Zhang, Biyu Wu, Yang Xiao, Hongbin Zou, Lei Zhang, Huahao Shao, Tianyi Ma, Hu Zhou, Yusheng Zhang

{"title":"Two-Dimensional Lamellar Stacked Bi2O3/CeO2 Type-II Heterojunctions Promote Carrier Separation to Enhance Ciprofloxacin Oxidation","authors":"Lihong Chen, Xiufei Zhao, Kuo Zhang, Biyu Wu, Yang Xiao, Hongbin Zou, Lei Zhang, Huahao Shao, Tianyi Ma, Hu Zhou, Yusheng Zhang","doi":"10.3390/reactions6020029","DOIUrl":"https://doi.org/10.3390/reactions6020029","url":null,"abstract":"The development of efficient and stable photocatalysts is critical for addressing water pollution challenges caused by persistent organic contaminants. However, single-component photocatalysts often suffer from rapid photogenerated carrier recombination and limited visible-light absorption. In this study, a two-dimensional lamellar stacked Bi2O3/CeO2 type-II heterojunction photocatalyst (BC) was successfully synthesized in situ by a topological transformation strategy induced by high-temperature oxidation of monolithic Bi. Transmission electron microscopy (TEM) and scanning electron microscopy (SEM) analyses confirmed the uniform distribution of Bi2O3 nanosheets on CeO2 surfaces, forming an intimate interfacial contact that enhances charge separation and transfer efficiency. Photoluminescence (PL) spectroscopy, UV–visible diffuse reflectance spectroscopy (DRS), and electrochemical characterization revealed extended visible-light absorption (up to 550 nm) and accelerated electron migration in the heterojunction. Under simulated sunlight, the optimized BOC (3:1) composite exhibited a ciprofloxacin (CIP) degradation rate constant 2.30 and 5.63 times higher than pure Bi2O3 and CeO2, respectively. Theoretical calculations validated the type-II band alignment with conduction and valence band offsets of 0.07 eV and 0.17 eV, which facilitated efficient spatial separation of photogenerated carriers. This work provides a rational strategy for designing heterojunction photocatalysts and advancing their application in water purification.","PeriodicalId":20873,"journal":{"name":"Reactions","volume":"6 2","pages":"29-29"},"PeriodicalIF":0.0,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.mdpi.com/2624-781X/6/2/29/pdf?version=1745388913","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147333374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Study on the Anti-Photocorrosion Mechanism of Novel Self-Assembled Spherical Cu2O/FePO4 Z-Scheme Heterojunctions 新型自组装球形Cu2O/FePO4 z型异质结抗光腐蚀机理研究

Reactions Pub Date : 2025-04-07 DOI: 10.3390/reactions6020024

Kuo Zhang, Xiufei Zhao, Hui Qian, Lihong Chen, Biyu Wu, Yang Xiao, Hongbin Zou, Yujiao Hu, Feng Chen, B.-L. Liao, Hu Zhou, Lei Zhang, Tianyi Ma, Yusheng Zhang

{"title":"Study on the Anti-Photocorrosion Mechanism of Novel Self-Assembled Spherical Cu2O/FePO4 Z-Scheme Heterojunctions","authors":"Kuo Zhang, Xiufei Zhao, Hui Qian, Lihong Chen, Biyu Wu, Yang Xiao, Hongbin Zou, Yujiao Hu, Feng Chen, B.-L. Liao, Hu Zhou, Lei Zhang, Tianyi Ma, Yusheng Zhang","doi":"10.3390/reactions6020024","DOIUrl":"https://doi.org/10.3390/reactions6020024","url":null,"abstract":"Cu2O, a narrow-bandgap semiconductor with visible light absorption capabilities, faces limitations in photocatalytic applications due to photocorrosion from hole self-oxidation and insufficient light absorption. In this work, a series of novel spherical Cu2O/FePO4 Z-scheme heterojunctions were successfully synthesized via self-assembly to overcome these challenges. The photocurrent, electrical impedance spectroscopy (EIS), and photoluminescence (PL) tests showed that Cu2O/1.5FePO4 (CF1.5) had excellent electron hole separation efficiency. Subsequently, photocatalytic degradation was utilized as a probing technique to further confirm the above conclusions, with the kinetic reaction constants of CF1.5 being 2.46 and 11.23 times higher than those of Cu2O and FePO4, respectively. After five cycles of experiments and XPS analysis, it was found that the content of Cu(I) in CF1.5 did not significantly decrease after the reaction, indicating that it has superior anti-photocorrosion performance compared to single Cu2O, which is also due to the establishment of a Z-scheme heterojunction. Systematic studies using radical scavenging experiments and ESR tests identified ·OH and ·O2− as the main active species involved in photocatalysis. The formation of a Z-scheme heterojunction not only enhances the photocatalytic activity of the CF1.5 composite but also effectively suppresses the photocorrosion of Cu2O, thereby offering a promising approach for enhancing anti-photocorrosion of Cu2O.","PeriodicalId":20873,"journal":{"name":"Reactions","volume":"6 2","pages":"24-24"},"PeriodicalIF":0.0,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.mdpi.com/2624-781X/6/2/24/pdf?version=1744012813","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147330815","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 4

Copper-Catalyzed Sonogashira-Type Coupling Reaction of Vinylacetylene ortho-Carborane with Boronic Acid in the Synthesis of Luminophores with Phosphorescent Emission 铜催化乙烯乙炔邻碳硼烷与硼酸的sonogashera型偶联反应合成具有磷光发射的发光团

Reactions Pub Date : 2024-11-07 DOI: 10.3390/reactions5040046

Timofey D. Moseev, Tair A. Idrisov, Михаил В. Вараксин, Anton N. Tsmokaluk, Valery N. Charushin, Oleg N. Chupakhin

{"title":"Copper-Catalyzed Sonogashira-Type Coupling Reaction of Vinylacetylene ortho-Carborane with Boronic Acid in the Synthesis of Luminophores with Phosphorescent Emission","authors":"Timofey D. Moseev, Tair A. Idrisov, Михаил В. Вараксин, Anton N. Tsmokaluk, Valery N. Charushin, Oleg N. Chupakhin","doi":"10.3390/reactions5040046","DOIUrl":"https://doi.org/10.3390/reactions5040046","url":null,"abstract":"A synthetic approach to prepare boron-enriched π-conjugated photoactive molecular systems based on ortho-carborane using the Cu(I)-catalyzed Sonogashira-type coupling reaction has been developed. The obtained luminophores have been found to possess absorption in the range of 300 to 400 nm, emission of up to 700 nm, and photoluminescence quantum yields of up to 99% in non-polar solvents. TD-DFT calculations have demonstrated that the luminophores are characterized by phosphorescent emission behavior with a lifetime of about 7 μs. In addition, the rigidochromism for the synthesized compounds has been revealed; particularly, the transition electronic state and bathochromic shift have been elucidated in the emission spectra. The exhibited luminescent characteristics indicate that the elaborated vinylcarborane fluorophores could be considered as promising building blocks in the design of advanced photofunctional materials for molecular electronics.","PeriodicalId":20873,"journal":{"name":"Reactions","volume":"5 4","pages":"868-882"},"PeriodicalIF":0.0,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.mdpi.com/2624-781X/5/4/46/pdf?version=1730968811","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147920862","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 2

Continuous Flow Optimisation of the Pudovik Reaction and Phospha-Brook Rearrangement Using DBN 基于DBN的Pudovik反应连续流优化及磷酸-布鲁克重排

Reactions Pub Date : 2024-11-01 DOI: 10.3390/reactions5040042

Joseph Dean, Natalia Buckler Reinoso, Francesco Spiedo, Carola Romero Fernández, Bhaven Patel

{"title":"Continuous Flow Optimisation of the Pudovik Reaction and Phospha-Brook Rearrangement Using DBN","authors":"Joseph Dean, Natalia Buckler Reinoso, Francesco Spiedo, Carola Romero Fernández, Bhaven Patel","doi":"10.3390/reactions5040042","DOIUrl":"https://doi.org/10.3390/reactions5040042","url":null,"abstract":"Flow chemistry has shown significant versatility over the last two decades, offering advantages in efficiency, scalability, and sustainability. In this study, the continuous stirred tank reactor (CSTR) was used to optimise the synthesis of α-hydroxyphosphonates via the Pudovik reaction and their subsequent conversion to phosphates through the phospha-Brook rearrangement. The study highlights that using CSTRs allows for better control over reaction parameters, leading to reduced reaction times and improved yields compared to traditional batch methods. The optimised conditions successfully facilitated a range of organophosphates, including electron-rich and electron-poor derivatives, with high efficiency. Additionally, a one-pot tandem process combining the Pudovik reaction and the phospha-Brook rearrangement was developed, reducing reaction times to two hours while maintaining comparable yields. This work demonstrates the potential of CSTRs in flow chemistry for synthesising complex organophosphorus compounds, achieving higher reaction yields and shorter reaction times, highlighting the effectiveness of continuous flow methodologies.","PeriodicalId":20873,"journal":{"name":"Reactions","volume":"5 4","pages":"812-822"},"PeriodicalIF":0.0,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.mdpi.com/2624-781X/5/4/42/pdf?version=1730434846","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147907537","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Autocatalytic Acetylation of Crude Glycerol Using Acetic Acid: A Kinetic Model 使用乙酸对粗甘油进行自动催化乙酰化：动力学模型

Reactions Pub Date : 2024-08-09 DOI: 10.3390/reactions5030025

Federico M. Perez, F. Pompeo, G. Santori, M. Gatti

{"title":"Autocatalytic Acetylation of Crude Glycerol Using Acetic Acid: A Kinetic Model","authors":"Federico M. Perez, F. Pompeo, G. Santori, M. Gatti","doi":"10.3390/reactions5030025","DOIUrl":"https://doi.org/10.3390/reactions5030025","url":null,"abstract":"The aim of this work was to develop a kinetic model based on the power law to describe the evolution of glycerol conversion and product distribution in the crude glycerol (G) acetylation reaction with acetic acid (AA) without the use of a catalyst. For this purpose, experimental tests were carried out with analytical glycerol under different reaction conditions (T = 80–160 °C, AA/G = 1–9 molar ratio, t = 0.25–2 h). The results showed the formation of mono- (MAG), di- (DAG) and tri- (TAG) acetylglycerols, liquid products with multiple applications in the chemical industry. From these results, a kinetic model based on the power law was implemented, which could acceptably estimate the experimental concentrations with an average relative error of 14.9%. Then, crude glycerol samples from different biodiesel industries were characterized by identifying and quantifying the impurities present in them (H2O, CH3OH, NaOH, NaCOOH, MONG and NaCl), and employed as reactants in the reaction tests. Given the significant differences observed in the glycerol conversion values compared to those obtained with analytical glycerol, further reaction tests were conducted to elucidate the effect of each impurity over the glycerol conversion. In these tests, the different impurities were added individually, maintaining the same concentration range as that of the crude glycerol samples. From the results obtained, global activity factors were introduced, which allowed us to modify the kinetic model to estimate glycerol conversions in the crude glycerol samples with an average relative error of 7%. It is hoped that this kinetic model will be a powerful tool useful for designing reactors on an industrial scale.","PeriodicalId":20873,"journal":{"name":"Reactions","volume":"92 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141921786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Investigation of the First Hydrogenation of LaNi5 LaNi5 的首次氢化研究

Reactions Pub Date : 2024-07-02 DOI: 10.3390/reactions5030021

Salma Sleiman, Samaneh Shahgaldi, J. Huot

引用次数: 0

Furfural and Levulinic Acid: Synthesis of Platform Molecules from Keggin Heteropolyacid-Catalyzed Biomass Conversion Reactions 糠醛和乙酰丙酸：从 Keggin 杂多酸催化的生物质转化反应中合成平台分子

Reactions Pub Date : 2024-06-09 DOI: 10.3390/reactions5020019

M. J. da Silva, A. A. Rodrigues, D. C. Batalha

引用次数: 0

Advanced Thermogravimetric Analyses of Stem Wood and Straw Devolatilization: Torrefaction through Combustion 茎木和秸秆脱碳的高级热重分析：通过燃烧进行热解

Reactions Pub Date : 2024-06-07 DOI: 10.3390/reactions5020018

David R. Wagner

{"title":"Advanced Thermogravimetric Analyses of Stem Wood and Straw Devolatilization: Torrefaction through Combustion","authors":"David R. Wagner","doi":"10.3390/reactions5020018","DOIUrl":"https://doi.org/10.3390/reactions5020018","url":null,"abstract":"Process design critically depends on the characterization of fuels and their kinetics under process conditions. This study steps beyond the fundamental methods of thermogravimetry to modulated (MTGA) and Hi-Res™ (high resolution) techniques to (1) add characterization detail and (2) increase the utility of thermal analysis data. Modulated TGA methods overlay sinusoidal functions on the heating rates to determine activation energy as a function of temperature with time. Under devolatilization conditions, Hi-Res™ TGA maintains a constant mass loss with time and temperature. These two methods, run independently or overlaid, offer additional analysis in which multiple samples at different heating rates are run to different final temperatures. Advanced methods allow researchers to use fewer samples by conducting fewer runs, targeting practical experimental designs, and quantifying errors easier. The parameters of the studies included here vary the heating rate at 10, 30, and 50 °C/min; vary gas-phase oxygen for pyrolysis or combustion conditions; and particle size ranges of 100–125 µm, 400–425 µm, and 600–630 µm. The two biomass fuels used in the studies are pinewood from Northern Sweden and wheat straw. The influence of torrefaction is also included at temperatures of 220, 250, and 280 °C. Apparent activation energy results align with the previous MTGA data in that combustion conditions yield higher values than pyrolysis conditions—200–250 kJ/mol and 175–225 kJ/mol for pine and wheat combustion, respectively, depending on pre-treatment. Results show the dependence of these parameters upon one another from a traditional thermal analysis approach, e.g., the Ozawa-Flynn-Wall method, as well as MTGA and Hi-Res™ thermogravimetric investigations to show future directions for thermal analysis techniques.","PeriodicalId":20873,"journal":{"name":"Reactions","volume":" 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141370974","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

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