Reaction Kinetics, Mechanisms and Catalysis最新文献_第3页

Exact solution to the reversible association process followed by zeroth-order kinetics 零级动力学可逆结合过程的精确解

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2025-02-17 DOI: 10.1007/s11144-025-02803-5

Alejandro Pérez Paz

{"title":"Exact solution to the reversible association process followed by zeroth-order kinetics","authors":"Alejandro Pérez Paz","doi":"10.1007/s11144-025-02803-5","DOIUrl":"10.1007/s11144-025-02803-5","url":null,"abstract":"<div>An explicit solution is presented for the two-step consecutive kinetics problem consisting of a reversible association process followed by a zeroth-order decay. This problem models the kinetically reversible combination of two molecules to yield a complex dimer which is then processed by an enzyme provided that we are under substrate saturation conditions. The exact solution, which involves a linear combination of Airy functions of the first and second kind and its derivatives, is valid for general initial conditions. This closed-form expression was obtained via a suitable transformation of the original non-linear differential equation and matches the numerical solution of the latter. A full analysis that includes a discussion of the phase portrait, asymptotic behavior and the effect of parameters is presented. Both the homo and cross associations between molecules are considered and the passage to the purely irreversible limit is also investigated. The newly developed equations are applied for the dissociation of tubulin heterodimer under various constant injection rates thereof. Other situations where these novel solutions could be useful are discussed.</div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 2","pages":"673 - 688"},"PeriodicalIF":1.7,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716775","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}

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The investigation of the basic fuchsin dye photocatalytic degradation in aqueous media using stabilised Span 80 and synthesized ultrasonically CuO Nanoparticles (NPs) 稳定Span 80光催化降解碱性品红染料及超声合成CuO纳米颗粒（NPs）研究

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2025-02-13 DOI: 10.1007/s11144-025-02806-2

Zineb Boutamine, Ikram Boukerche, Ahmed Abdelhakim Ayachi, Mélanie Mignot, Faika Zerouali, Sarah Khraimech, Lokmane Abdelouahed

{"title":"The investigation of the basic fuchsin dye photocatalytic degradation in aqueous media using stabilised Span 80 and synthesized ultrasonically CuO Nanoparticles (NPs)","authors":"Zineb Boutamine, Ikram Boukerche, Ahmed Abdelhakim Ayachi, Mélanie Mignot, Faika Zerouali, Sarah Khraimech, Lokmane Abdelouahed","doi":"10.1007/s11144-025-02806-2","DOIUrl":"10.1007/s11144-025-02806-2","url":null,"abstract":"<div>This study investigates the synthesis and photocatalytic efficacy of copper oxide Nano Particles (CuO NPs) for dye removal from water. CuO NPs are synthesized via a sonochemical reduction method in an alkaline aqueous medium, using copper sulfate pentahydrate (CuSO4·5H2O) as a precursor and Span 80 as a reducing and stabilizing agent. Characterization is conducted using X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), Brunauer–Emmett–Teller (BET) surface area analysis, and UV–visible spectroscopy. The results reveal that the NPs exhibit an irregular shape, with an average length of 75 nm, an optical band gap of 2.7 eV, and a surface area of 10.7 m2/g. The photocatalytic degradation of basic fuchsin dye under UV light was achieved with an 81.3% removal rate within 30 min at natural pH (5.4), 20 ± 2 °C, and 400 rpm, with an initial dye concentration of 10 mg/L and a mass-to-liquid ratio (r) of 1. It was observed that increasing the initial concentration of the dye resulted in a reduction in the efficiency of the degradation process. However, an optimized catalyst dose of 200 mg (r = 2) was found to enable an 87.3% removal within 10 min. Under alkaline conditions (pH 8), the photocatalytic efficiency was observed to increase further, reaching 92.78%. The degradation process was found to follow a pseudo-first order kinetics. The scavenger tests indicate the singlet oxygen as the primary reactive oxygen species. Total organic carbon (TOC) analysis shows a 65% reduction in organic content, supporting the proposed dye degradation mechanism. These findings demonstrate the potential of CuO NPs as effective photocatalysts for environmental dye removal applications.</div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 3","pages":"1813 - 1832"},"PeriodicalIF":1.7,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144135401","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}

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Enhanced visible light photocatalytic H2 production on ZnMn2O4 ZnMn2O4增强可见光催化制氢

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2025-02-13 DOI: 10.1007/s11144-025-02807-1

S. Douafer, H. Lahmar, M. Benamira, R. Laouici, A. Sahmi, M. Trari

{"title":"Enhanced visible light photocatalytic H2 production on ZnMn2O4","authors":"S. Douafer, H. Lahmar, M. Benamira, R. Laouici, A. Sahmi, M. Trari","doi":"10.1007/s11144-025-02807-1","DOIUrl":"10.1007/s11144-025-02807-1","url":null,"abstract":"<div>This work highlights the development of nanocrystalline ZnMn2O4, synthesized via a sol–gel route, as a visible-light-active photocatalyst for hydrogen production. Structural characterization through X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and FT-IR spectroscopy confirmed the formation of a single-phase cubic spinel structure. Scanning electron microscopy (SEM) revealed grains with uniform morphology, while the BET analysis showed a specific surface area of 27.75 m2/g and a pore volume of 0.2 cm3/g. The material exhibits an optical bandgap of 1.33 eV, attributed to Mn3+ 3d orbital splitting, and displays p-type behavior, with a flat band potential (Efb) of 0.18 V vs. SCE, as determined from capacitance-potential measurements. The current–potential profile resembles a chemical diode, supporting a redox potential near − 0.7 V vs. SCE and low hydrogen overvoltage. Under optimal conditions (pH ~ 12, 50 °C, light flux of 28 mW/cm2), ZnMn2O4 achieved a hydrogen evolution rate of 0.32 μmol min−1 g−1 and a quantum efficiency of 0.79% using S2O32− as a reducing agent. ZnMn2O4 demonstrated excellent stability and reusability over successive runs. These findings highlight the catalyst's potential as an affordable material for solar-powered hydrogen production, paving the way for efficient renewable energy systems.</div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 3","pages":"1845 - 1860"},"PeriodicalIF":1.7,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144135402","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

Impact of copper-doped cobalt oxide thin films on the photocatalytic degradation of methylene blue dye under sunlight irradiation 掺杂铜的氧化钴薄膜对太阳光光催化降解亚甲基蓝染料的影响

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2025-02-10 DOI: 10.1007/s11144-025-02805-3

Sabah Haffas, Nadjette Belhamra, Zahia Bencharef, Nourelhouda Redjouh, Brahim Gasmi, Sâad Rahmane

{"title":"Impact of copper-doped cobalt oxide thin films on the photocatalytic degradation of methylene blue dye under sunlight irradiation","authors":"Sabah Haffas, Nadjette Belhamra, Zahia Bencharef, Nourelhouda Redjouh, Brahim Gasmi, Sâad Rahmane","doi":"10.1007/s11144-025-02805-3","DOIUrl":"10.1007/s11144-025-02805-3","url":null,"abstract":"<div>The current study investigates the effect of copper doping with concentrations ranging from 2 wt% to 10 wt% on cobalt oxide (Co3O4) properties and their application in photocatalytic reactions. Undoped and copper-doped Co3O4 thin films were synthesized using the pyrolysis spray technique (PST) on a glass substrate at 400 °C and with 0.2 M. XRD analysis reveals that all substrates exhibited a single-phase, spinel cubic structure, indicating that incorporating copper (Cu) into the Co3O4 structure did not form a new crystalline phase. An increase in crystallite size was observed, rising from 25.588 to 40.940 nm. The micrograph of films was analyzed using scanning electron microscopy (SEM). UV–Vis measurements found that incorporating Cu-dopants reduced the direct band gap Eg2 from 2.030 to 2.012. The photocatalytic efficiency of films was evaluated by measuring the degradation of methylene blue dye (MB) under sunlight irradiation for 4 h. The kinetics of MB photodegradation were evaluated using the non-linear least square method. The optimal Cu-doping concentration is at 8 wt%, with the maximum degradation of MB being 84%. It concluded that incorporating copper markedly improves the photocatalytic performance of cobalt oxide thin films.</div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 3","pages":"1747 - 1764"},"PeriodicalIF":1.7,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144135359","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}

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ChemTexts: a resource for good scientific practice ChemTexts：良好科学实践的资源

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2025-02-04 DOI: 10.1007/s11144-025-02804-4

Gábor Lente

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Theoretical analysis of Langmuir–Hinshelwood kinetics: Hyperbolic function and Akbari–Ganji’s method Langmuir-Hinshelwood动力学的理论分析：双曲函数和Akbari-Ganji方法

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2025-02-01 DOI: 10.1007/s11144-025-02802-6

M. Karthiyayini, P. Jeyabarathi, L. Rajendran

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Intermittent chaos in the model of Bray–Liebhafsky reaction Bray-Liebhafsky反应模型中的间歇性混沌

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2025-02-01 DOI: 10.1007/s11144-025-02801-7

Stevan Maćešić, Ana Ivanović-Šašić, Željko Čupić, Slobodan Anić

{"title":"Intermittent chaos in the model of Bray–Liebhafsky reaction","authors":"Stevan Maćešić, Ana Ivanović-Šašić, Željko Čupić, Slobodan Anić","doi":"10.1007/s11144-025-02801-7","DOIUrl":"10.1007/s11144-025-02801-7","url":null,"abstract":"<div>This study investigates the model of Bray–Liebhafsky (BL) reaction with aim to identify possible mechanism of emerging intermittent chaos in chemical systems. Through both classic kinetic approaches and stoichiometric network analysis (SNA), we successfully simulate a range of dynamic states, including intermittent oscillations characterized by chaotic mixtures of large and small amplitude bursts. The findings emphasize the importance of reaction pathways and the geometry of slow manifolds in influencing the stability and oscillatory behaviour of the BL reaction. For the first time the model replicates significant experimental observations, including oscillation symmetry, which has been challenging in previous studies. Parameter scaling was crucial for aligning numerical simulations with realistic concentration ranges and oscillation periods. Future research will refine the model to improve the correspondence between experimental and simulated dynamics and explore the implications of identified bifurcations for broader classes of nonlinear reaction systems, contributing to a deeper understanding of oscillatory reactions in chemical engineering.</div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 2","pages":"607 - 624"},"PeriodicalIF":1.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11144-025-02801-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716641","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Esterification of methacrylic acid with epichlorohydrin over syringic acid functionalized mesoporous silica nanocomposites 甲基丙烯酸与环氧氯丙烷在丁香酸功能化介孔二氧化硅纳米复合材料上的酯化反应

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2025-01-27 DOI: 10.1007/s11144-025-02798-z

Amit Dubey, P. B. Gourav, Harjinder Singh

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Efficient methylene blue degradation with spray-deposited ZnO, and V-doped ZnO thin films photocatalysts 喷雾沉积ZnO和v掺杂ZnO薄膜光催化剂对亚甲基蓝的高效降解

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2025-01-22 DOI: 10.1007/s11144-025-02795-2

Sabrina Roguai, Abdelkader Djelloul

{"title":"Efficient methylene blue degradation with spray-deposited ZnO, and V-doped ZnO thin films photocatalysts","authors":"Sabrina Roguai, Abdelkader Djelloul","doi":"10.1007/s11144-025-02795-2","DOIUrl":"10.1007/s11144-025-02795-2","url":null,"abstract":"<div>This study presents a comprehensive analysis of the structural, microstructural, photoluminescence (PL), electrical, optical, and photocatalytic properties of vanadium-doped ZnO [2, 5, 10, and 15%] thin films. X-ray diffraction (XRD) and scanning electron microscopy (SEM) were employed to investigate the structural and microstructural changes, revealing degradation of crystallinity confirms the substitution of Zn2+ ions by V3+ ions and changes the shape of morphology with vanadium doping. Photoluminescence studies indicated a significant increase in defect-related emissions, suggesting enhanced electron–hole pair separation. Electrical measurements demonstrated improved conductivity in V doped ZnO films, attributed to vanadium's role in promoting charge carrier mobility. Optical analyses indicated a slight blue shift in the absorption edge, reflecting an increase in the optical bandgap of V doped ZnO compared to undoped ZnO; however, the absorbance in the 300–400 nm range was largely unaffected by vanadium doping, which does not represent enhanced light absorption capabilities. Instead, the blue shift suggests changes in the energy levels that may influence photocatalytic activity. Photocatalytic performance, assessed through the degradation of methylene blue solution under UV light irradiation, showed that 10% Vdoped ZnO thin films exhibited superior activity compared to other V doped ZnO films. These findings underscore the potential of V-ZnO thin films for advanced optoelectronic applications.</div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 3","pages":"1685 - 1705"},"PeriodicalIF":1.7,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144135293","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

Investigating the mechanism of formation of nitro-substituted nicotine analogue via the [3 + 2] cycloaddition reaction of (E)-substituted nitroethene derivatives and (Z)-C-(3-pyridyl)-N-aryl-nitrones: a density functional theory (DFT) study (E)-取代硝基乙烯衍生物与(Z)- c -（3-吡啶基）- n -芳基硝基硝基衍生物[3 + 2]环加成反应生成硝基取代尼古丁类似物的机理研究：密度泛函理论（DFT）研究

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2025-01-22 DOI: 10.1007/s11144-025-02800-8

Oscar Adjei Boadi Appiah, Evans Adei, Richard Tia

{"title":"Investigating the mechanism of formation of nitro-substituted nicotine analogue via the [3 + 2] cycloaddition reaction of (E)-substituted nitroethene derivatives and (Z)-C-(3-pyridyl)-N-aryl-nitrones: a density functional theory (DFT) study","authors":"Oscar Adjei Boadi Appiah, Evans Adei, Richard Tia","doi":"10.1007/s11144-025-02800-8","DOIUrl":"10.1007/s11144-025-02800-8","url":null,"abstract":"<div>The formation of nitro-substituted nicotine analogues via the (3 + 2) cycloaddition (32CA) reaction between (E)-substituted nitroethene derivatives and (Z)-C-(3-pyridyl)-N-aryl-nitrones have been investigated using Density functional theory (DFT) at the B3LYP-D3/6-311G (d, p) level of theory. The results reveal that the reaction leads to the formation of the 4-nitro substituted exo isoxazolidine nicotine analogue (P2A). The rate constant for the preferred pathway (formation of P2A) in the reaction of A1 and A2 is 2.21 × 1010 s−1, which is about 1.66 × 102 faster than the competing pathway through TS1B yielding product P1B with a rate constant of 4.23 × 109 s−1. Substituents on both A1 and A2 influence the activation barriers, with electron-withdrawing groups increasing the reaction’s electrophilicity and electron-donating groups increasing nucleophilicity. The calculated global reactivity indices support these trends, with A1 acting as the electrophile and A2 as the nucleophile.</div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 3","pages":"1903 - 1921"},"PeriodicalIF":1.7,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144135294","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