Reaction Kinetics, Mechanisms and Catalysis最新文献_第2页

Oxidation of hydrogen peroxide by tungstate ion: formation and decay of a long-lived intermediate 钨酸离子氧化过氧化氢：长寿命中间体的形成和衰变

IF 1.8 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-08-29 DOI: 10.1007/s11144-024-02713-y

Joaquin F. Perez-Benito, Adria Salido-Pons

{"title":"Oxidation of hydrogen peroxide by tungstate ion: formation and decay of a long-lived intermediate","authors":"Joaquin F. Perez-Benito, Adria Salido-Pons","doi":"10.1007/s11144-024-02713-y","DOIUrl":"https://doi.org/10.1007/s11144-024-02713-y","url":null,"abstract":"The kinetics of the reaction between tungstate ion and hydrogen peroxide in aqueous medium containing phosphate ions has been followed spectrophotometrically at 225 nm. This wavelength led to two different kinds of absorbance-time plots, showing either an increasing-maximum-decreasing temporal pattern or a continuously decreasing one, depending on the medium pH. This allowed to carry out two independent kinetic studies, one at high pH (first reaction stage) concerning the formation of a long-lived intermediate, thought to be W(V), and the other at low pH (second reaction stage) concerning its decay. The kinetic tool chosen to obtain the quantitative information was that of the initial rate method. The results indicated that, whereas both reaction stages were of first order in hydrogen peroxide, the rate dependence on the concentration of tungstate ion differed for the two stages: an apparent kinetic order intermediary between 1 and 2 for the first stage, and a well-defined order 1 for the second stage. There was also a difference between the dependences of the initial rates of the two stages on the concentrations of phosphate ions (the rate of the first stage independent and that of the second decreasing) and of the background electrolyte KCl (for the first stage an increasing effect and for the second a decreasing one). Both stages showed catalysis by hydrogen, copper(II), zinc and manganese(II) ions, the latter three probably acting as superoxide radical scavengers. Although the activation energy of the first stage was unusually close to zero (1.0 ± 1.2 kJ mol−1), that of the second stage was considerably higher (28 ± 3 kJ mol−1). Finally, a mechanism coherent with the available experimental information, and where the solvent cage effect plays an important role, has been proposed for each reaction stage.<h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142212111","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Synthesis, characterization, and photocatalytic activity of aluminum doped spinel ferrite nanoparticles for the photodegradation of Congo red 用于光降解刚果红的掺铝尖晶石铁氧体纳米粒子的合成、表征和光催化活性

IF 1.8 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-08-22 DOI: 10.1007/s11144-024-02714-x

Muhammad Yasar, Atif Mujtaba, Kinza Fatima, Maddiha Rubab, Muhammad Usman, Muhammad Jamil Khan, Devendra Pratap Rao, Raja Waleed Sajjad

{"title":"Synthesis, characterization, and photocatalytic activity of aluminum doped spinel ferrite nanoparticles for the photodegradation of Congo red","authors":"Muhammad Yasar, Atif Mujtaba, Kinza Fatima, Maddiha Rubab, Muhammad Usman, Muhammad Jamil Khan, Devendra Pratap Rao, Raja Waleed Sajjad","doi":"10.1007/s11144-024-02714-x","DOIUrl":"https://doi.org/10.1007/s11144-024-02714-x","url":null,"abstract":"In this study, the photocatalytic degradation of Congo red dye was investigated using aluminum-doped nickel cadmium manganese prepared from a sol–gel auto-combustion process and characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM–EDX) for morphological and chemical studies. UV–Vis spectroscopic investigations were performed to explore the optical properties of the synthesised spinel ferrite. The results show that the particle size decreases, the surface area increases, and the band gap energy of ferrite nanoparticles decreases with aluminum doping, which is responsible for their enhanced photocatalytic activity under visible light irradiation. The photodegradation efficiency of the aluminum-doped catalyst was found to be remarkable, up to 99.54% for Congo red after 60 min as compared to undoped 56.78% in 60 min under normal conditions. At optimized conditions Congo red dye (10 ppm) was degraded by 100% in 30 min under pH 3, 40 °C, 100 mg/100 mL catalyst dosage, 200 W light intensity conditions. Superoxide radicals, together with hydroxyl radicals and holes, appear to be key species in the degradation mechanisms, as determined in previous studies. Therefore, the recycled catalyst showed excellent stability and reusability over five cycles of photocatalytic performance.","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211932","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Behavior of toxic elements in the thermal decomposition of industrial sodium jarosite: a kinetic analysis 工业箭石钠热分解过程中有毒元素的行为：动力学分析

IF 1.8 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-08-22 DOI: 10.1007/s11144-024-02709-8

Rubén H. Olcay, Elia G. Palacios, Iván A. Reyes, Francisco Patiño, Martín Reyes, Miguel Pérez, Hernán Islas, Julio C. Juárez, Mizraim U. Flores

{"title":"Behavior of toxic elements in the thermal decomposition of industrial sodium jarosite: a kinetic analysis","authors":"Rubén H. Olcay, Elia G. Palacios, Iván A. Reyes, Francisco Patiño, Martín Reyes, Miguel Pérez, Hernán Islas, Julio C. Juárez, Mizraim U. Flores","doi":"10.1007/s11144-024-02709-8","DOIUrl":"https://doi.org/10.1007/s11144-024-02709-8","url":null,"abstract":"In this study, an analysis of the behavior at high temperatures of toxic metals (As, Pb, and Cd) present in industrial sodium jarosite was carried out. The chemical and structural characterization of industrial sodium jarosite was carried out. Different mineral species associated with jarosite were found, such as franklinite (13.7%), analcime (12.1), orthoclase (4.4%) and other minority phases (1.4%), which are present from processes prior to the precipitation of jarosite industry. The amount of toxic elements such as arsenic, lead and cadmium was quantified, and their behavior was studied at high temperatures from 100 °C to 1000 °C, in addition, a kinetic of thermal decomposition of industrial jarosite study was carried out and the apparent activation energy of each of the mass losses was determined. The first loss of mass has an apparent activation energy of 22.32 kJ mol−1, the second loss of 42.23 kJ mol−1, and the third of 46.31 kJ mol−1, losing a total of 36.10% of the total compound, and within the rest of mass (63.9%) as hematite and other toxic metals such as arsenic, lead, cadmium are found, which at 1000 °C are kept within the compound. The analysis carried out by DSC shows that there are 4 endothermic reactions and a very slight exothermic reaction. Endothermic reactions are due to the loss of water at low temperatures and the loss of sulfur at high temperatures, so the exothermic reaction is attributed to the oxidation of the metals present in jarosite. The results were corroborated by XPS, XRF, AAS, and XRD, where residues were analyzed after calcination at different temperatures and where it is shown that at 1000 °C such elements are present within the compound, so the building materials despite being subjected to sintering at high temperatures, retain these toxic elements.","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142212112","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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 performance of ZnAl vs ZnAlTi in the degradation of 2,4-dichlorophenoxyacetic acid herbicide ZnAl 与 ZnAlTi 在降解 2,4-二氯苯氧乙酸除草剂中的光催化性能对比

IF 1.8 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-08-22 DOI: 10.1007/s11144-024-02717-8

G. M. Bahena, L. V. Castro, B. Alcántar-Vázquez, M. E. Manriquez, E. Albiter, E. Ortiz-Islas, R. Cabrera-Sierra

{"title":"Photocatalytic performance of ZnAl vs ZnAlTi in the degradation of 2,4-dichlorophenoxyacetic acid herbicide","authors":"G. M. Bahena, L. V. Castro, B. Alcántar-Vázquez, M. E. Manriquez, E. Albiter, E. Ortiz-Islas, R. Cabrera-Sierra","doi":"10.1007/s11144-024-02717-8","DOIUrl":"https://doi.org/10.1007/s11144-024-02717-8","url":null,"abstract":"This study focused on the synthesis and evaluation of mixed metal oxides ZnO/Al2O3 and ZnO/Al2O3/TiO2 as heterogeneous photocatalysts for the degradation of 2,4-dichlorophenoxyacetic acid (2,4-D). Hydrotalcites were synthesized using three different methods (conventional, microwave, and ultrasonic) and then treated at 700 ºC to obtain the corresponding Zn/Al and Zn/Al/Ti mixed metal oxides. The layered double hydroxide (LDH) and the mixed metal oxides were characterized by various techniques including X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectrometry (XPS), N2 adsorption–desorption, Fourier transform infrared spectroscopy (FTIR), pHPZC analysis and UV–Vis techniques. A 95.6% photodegradation of 2,4-D was achieved after 240 min of UV exposure radiation (λ = 254 nm). The degradation of the products was confirmed by mass spectrometry analysis. The activity of the samples under UV irradiation followed this order: OZnTU > OZnTC > OZnTM, with ZnO/Al2O3/TiO2 showing the highest activity due to its chemical composition and the interaction between ZnO and TiO2. The degradation process was described by a Langmuir–Hinshelwood type kinetic model. Mass spectrometry was used to analyze the photodegradation results, suggesting the potential of these photocatalysts for the oxidation of 2,4-D in industrial wastewater under UV irradiation, particularly for the degradation and mineralization of 2,4-D herbicides from an aqueous solution.<h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211935","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Fouling reduction and flux enhancement of visible light driven nitrogen doped titanium dioxide-polyvinyl difluoride photocatalytic membrane: modelling and optimization of multiple variables 可见光驱动的掺氮二氧化钛-聚偏二氟乙烯光催化膜的污垢减少和通量提高：建模和多变量优化

IF 1.8 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-08-21 DOI: 10.1007/s11144-024-02711-0

Kipchumba Nelson, Achisa C. Mecha, Anil Kumar

{"title":"Fouling reduction and flux enhancement of visible light driven nitrogen doped titanium dioxide-polyvinyl difluoride photocatalytic membrane: modelling and optimization of multiple variables","authors":"Kipchumba Nelson, Achisa C. Mecha, Anil Kumar","doi":"10.1007/s11144-024-02711-0","DOIUrl":"https://doi.org/10.1007/s11144-024-02711-0","url":null,"abstract":"In this study, the performance of nitrogen-doped titanium dioxide polyvinylidene difluoride photocatalytic membrane (N-TiO2-PVDF) in water treatment was assessed. The effect of solution pH (4–10) and salt (NaCl) concentration (7–40 g/l) on the permeate flux was investigated for disinfection of water containing E. coli. Modelling and optimization were done using response surface methodology (RSM) based on central composite design (CCD). Flux was modelled with a quadratic polynomial. The Analysis of Variance had a high predicted R2 of 0.83, with less than 0.2 difference with adjusted R2 indicating adequate response variation with a coefficient of variance (CV%) of 3.27%. The coefficient of variance (CV%) in the model did not exceed 10% indicating adequate variation and reliability in the response. The model had an optimum flux value of 5.3 ml/7cmD/min at pH 7 and 7 g/l NaCl concentration. The N-TiO2-PVDF membranes were hydrophilic resulting in an 80% higher mean flux than the PVDF membrane. This was attributed to antifouling properties resulting from the photocatalytic activity of N-TiO2 nanoparticles. The solar-based N-TiO2-PVDF membrane effectively disinfected water containing E. coli, with no bacterial regrowth, enhanced flux and reduced fouling.<h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142212113","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Unraveling the photocatalytic degradation kinetics and efficiency of methylene blue, rhodamine B, and auramine O in their ternary mixture: diffusion and conformational insights 揭示亚甲基蓝、罗丹明 B 和金胺 O 在其三元混合物中的光催化降解动力学和效率：扩散和构象的启示

IF 1.8 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-08-21 DOI: 10.1007/s11144-024-02712-z

Nurul Amanina A. Suhaimi, Nur Nabaahah Roslan, Nur Batrisyia Amirul, Harry Lik Hock Lau, Alessandra Anne Hasman, Muhammad Nur, Jun Wei Lim, Anwar Usman

{"title":"Unraveling the photocatalytic degradation kinetics and efficiency of methylene blue, rhodamine B, and auramine O in their ternary mixture: diffusion and conformational insights","authors":"Nurul Amanina A. Suhaimi, Nur Nabaahah Roslan, Nur Batrisyia Amirul, Harry Lik Hock Lau, Alessandra Anne Hasman, Muhammad Nur, Jun Wei Lim, Anwar Usman","doi":"10.1007/s11144-024-02712-z","DOIUrl":"https://doi.org/10.1007/s11144-024-02712-z","url":null,"abstract":"Heterogeneous photocatalytic degradation behavior of cationic methylene blue (MB), rhodamine B (RhB), and auramine O (AO) dyes in their ternary aqueous solution, as a model of multicomponent mixture closely imitating a real wastewater, was investigated in great detail. In this study, 100 nm anatase TiO2 nanoparticles irradiated using 365 nm light were utilized to generate reactive oxygen species capable of oxidizing and degrading unselectively the dyes into small fragments of organic compounds. The underlying kinetics and mechanism of photocatalytic degradation of the dyes were elucidated based on the Langmuir–Hinshelwood kinetic, Weber–Morris intraparticle diffusion, and Smoluchowski diffusion-limited reaction models. The simultaneous photocatalytic degradation of the dyes in their ternary mixture at different irradiation times, catalyst dosages, initial concentrations, pHs of medium, and molarity ratios clearly suggested the dominance of MB in the photocatalytic degradation process due to its faster diffusion over RhB and AO. Increasing temperature or adding a small amount of hydrogen peroxide further highlighted the advantage of MB in the photocatalytic degradation. Overall results revealed a general concept that the molecular structure, especially planarity and electron donating power of attached groups, plays an important role in controlling diffusion dynamics, immobilization, and efficiency of photocatalytic degradation of dyes in multicomponent wastewater.<h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211933","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Sustainable remediation of a cationic dye in aqueous solutions using modified palm petiole as a highly efficient and reusable adsorbent 利用改性棕榈叶柄作为高效、可重复使用的吸附剂，对水溶液中的阳离子染料进行可持续修复

IF 1.8 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-08-17 DOI: 10.1007/s11144-024-02708-9

Amina Aichour, Hakim Djafer Khodja, Dounia Benaidja, Youcef Islam Touahria, Hassina Zaghouane-Boudiaf, Cesar Viseras Iborra

{"title":"Sustainable remediation of a cationic dye in aqueous solutions using modified palm petiole as a highly efficient and reusable adsorbent","authors":"Amina Aichour, Hakim Djafer Khodja, Dounia Benaidja, Youcef Islam Touahria, Hassina Zaghouane-Boudiaf, Cesar Viseras Iborra","doi":"10.1007/s11144-024-02708-9","DOIUrl":"https://doi.org/10.1007/s11144-024-02708-9","url":null,"abstract":"This study adopted acid treatment of palm petioles for preparing (APP), which reached notably the whole removal ratio of 99% (60 min) of methylene blue (150 mg/L) and can still maintain good performance after 5 cycles. The adsorbents were analyzed using SEM, FTIR, pHPZC, and SSA estimation by methylene blue adsorption. The modification of the rough palm petiole with phosphoric acid enables the APP to enhance the intensity of MB adsorption from wastewater. With high R2 and the lowest RMSE, the pseudo-second-order model is the most suitable model that describes MB adsorption on APP. There is an intraparticle diffusion, which occurs with the pseudo-second-order. pH has a great effect on MB removal. MB adsorption process was found to be spontaneous and the exothermic. Langmuir model gives very satisfactory results with value of correlation coefficient > 0.93, and the lowest values of RMSE, and saturated monolayers with values of quantities adsorbed close to experimental values. The progressive elimination percentages of the MB on APP were from 95.03% to 41.87% from the first cycle to the fifth cycle of adsorption–desorption. Obtained results have shown that APP is a very promoting adsorbent in the field of wastewater treatment.","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211940","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Production and characterization of activated carbons from asphaltene by carbon dioxide and steam for ibuprofen adsorption 利用二氧化碳和蒸汽从沥青烯中制取活性炭并确定其特性以吸附布洛芬

IF 1.8 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-08-17 DOI: 10.1007/s11144-024-02705-y

Sihem Belhayara, Mortada Daaou, Abdelaziz Bendraoua

{"title":"Production and characterization of activated carbons from asphaltene by carbon dioxide and steam for ibuprofen adsorption","authors":"Sihem Belhayara, Mortada Daaou, Abdelaziz Bendraoua","doi":"10.1007/s11144-024-02705-y","DOIUrl":"https://doi.org/10.1007/s11144-024-02705-y","url":null,"abstract":"This study explores the utilization of asphaltene an undesirable and abundant waste from an Algerian crude oil well, for activated carbon production via physical activation methods using two distinct activating agents: carbon dioxide and steam, at 780 °C, with varying degrees of burn-off. The carbons produced at different burn-off levels were characterized based on their nitrogen and carbon dioxide adsorption isotherms at 77 K and 273 K. The results indicate that the choice of gasification agent significantly influences the development of activated carbon porosity. Specifically, steam demonstrates higher reactivity and generally yields activated carbons with superior nitrogen adsorption capacity. Carbon dioxide activation, on the other hand, generates narrow micropores that contribute to total microporosity, while steam activation tends to widen micropores. The adsorption capacity of the resulting activated carbons (CAs) was assessed using ibuprofen as the adsorbate. Kinetic and equilibrium adsorption data indicate satisfactory removal of this contaminant. The adsorption process conforms to the pseudo-second order kinetic equation and the Sips and Langmuir adsorption models, highlighting the efficiency and reliability of the adsorption process.","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211942","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Three-dimensional solvent-free Cu(I)-based metal–organic framework coordinated by 1,2,4-triazole derivative and its thermal decomposition kinetics 1,2,4-三唑衍生物配位的三维无溶剂铜(I)基金属有机框架及其热分解动力学

IF 1.8 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-08-13 DOI: 10.1007/s11144-024-02689-9

Qianjin Xi, Jinxi Zhang, Xiaoni Qu, Chen Gao, Junpeng Huang, Lina Zheng

{"title":"Three-dimensional solvent-free Cu(I)-based metal–organic framework coordinated by 1,2,4-triazole derivative and its thermal decomposition kinetics","authors":"Qianjin Xi, Jinxi Zhang, Xiaoni Qu, Chen Gao, Junpeng Huang, Lina Zheng","doi":"10.1007/s11144-024-02689-9","DOIUrl":"https://doi.org/10.1007/s11144-024-02689-9","url":null,"abstract":"A solvent-free metal–organic framework (MOF) [Cu3(CN)3(dtb)]n (1) was hydrothermally constructed depending on 4,4′-di(4H-1,2,4-triazol-4-yl)-1,1′-biphenyl (dtb) and structural characterization was carried out through single crystal X-ray diffraction analysis. Compound 1 reveals an interpenetrated three-dimensional (3D) framework architecture by Cu6(CN)6 rings and dtb ligands, resulting in a fascinating configuration. 1 displays very high thermal stability with the thermal decomposition temperature up to 301 °C and the research on non-isothermal kinetics was conducted at different heating rates through adopting Kissinger’s and Ozawa-Doyle’s methods. Remarkably, the kinetic triplets (the apparent activation energy Ea, the preexponential factor logA and the mechanism function ƒ(α)) and the related thermodynamic parameters (the Gibbs energy of activation ∆G≠, the enthalpy of activation ∆H≠ and the entropy of activation ∆S≠) are discussed and calculated in detail.<h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>A solvent-free 3D MOF based on 4,4′-di(4H-1,2,4-triazol-4-yl)-1,1′-biphenyl presents high thermal stability and its thermal decomposition kinetics was investigated.\u0000","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211939","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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 study on the isothermal decomposition kinetics of energetic cellulose-rich materials using a vacuum stability test 利用真空稳定性测试研究富含高能纤维素材料的等温分解动力学

IF 1.8 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-08-12 DOI: 10.1007/s11144-024-02706-x

Ahmed Fouzi Tarchoun, Djalal Trache, Amir Abdelaziz, Aimen Selmani, Hani Boukeciat, Mohamed Abderrahim Hamouche, Salim Chelouche, Yash Pal, Thomas M. Klapötke

{"title":"A study on the isothermal decomposition kinetics of energetic cellulose-rich materials using a vacuum stability test","authors":"Ahmed Fouzi Tarchoun, Djalal Trache, Amir Abdelaziz, Aimen Selmani, Hani Boukeciat, Mohamed Abderrahim Hamouche, Salim Chelouche, Yash Pal, Thomas M. Klapötke","doi":"10.1007/s11144-024-02706-x","DOIUrl":"https://doi.org/10.1007/s11144-024-02706-x","url":null,"abstract":"In this work, the isothermal decomposition kinetics of a promising high-energy dense nitrated cellulose carbamate (NCC) was investigated, for the first time, using vacuum stability test (VST) at different isothermal temperatures. The kinetic triplet of NCC was calculated by model-fitting and model-free methods, and compared to that of the conventional nitrocellulose (NC). VST results showed that the gas pressure of the studied energetic cellulose-rich materials (NCC and NC) increased with the increase in time test, which is found more pronounced for NCC compared to NC. Furthermore, thermo-kinetic findings demonstrated that the Arrhenius parameters determined by the two performed kinetic approaches are in good concordance. Indeed, the apparent activation energy of NCC is found to be around 141 kJ/mol, which is lower than that of the common NC (Eα = 152 kJ/mol). The model-fitting approach revealed that the mechanism of isothermal decomposition of NCC and NC is controlled by a chemical process. Besides, a strong linear relationship between the activation energy and the logarithm of the pre-exponential factor is observed. This work provides valuable guidance for the isothermal decomposition kinetics of energetic cellulose-rich materials and further supports and complements their kinetic database.<h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211938","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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