International Journal of Chemical Kinetics最新文献

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Experimental Kinetic Study of the Reactions of Hydroxyl Radicals With Three Oxymethylene Ethers and With 1,3,5-Trioxane, Tetrahydrofuran, and Tetrahydrofuran-d8 羟基自由基与三种氧甲醚及与1,3,5-三氧烷、四氢呋喃和四氢呋喃- 8反应的实验动力学研究
IF 1.5 4区 化学
International Journal of Chemical Kinetics Pub Date : 2025-05-26 DOI: 10.1002/kin.21794
Miu G. Mach, Anne Wolf, Bianca Krumm, Felix Poschen, Christian Kühn, Matthias Olzmann
{"title":"Experimental Kinetic Study of the Reactions of Hydroxyl Radicals With Three Oxymethylene Ethers and With 1,3,5-Trioxane, Tetrahydrofuran, and Tetrahydrofuran-d8","authors":"Miu G. Mach,&nbsp;Anne Wolf,&nbsp;Bianca Krumm,&nbsp;Felix Poschen,&nbsp;Christian Kühn,&nbsp;Matthias Olzmann","doi":"10.1002/kin.21794","DOIUrl":"https://doi.org/10.1002/kin.21794","url":null,"abstract":"<p>Polyoxymethylene dimethyl ethers, CH<sub>3</sub>O(CH<sub>2</sub>O)<i><sub>n</sub></i>CH<sub>3</sub> with <i>n</i> ≥ 1 (abbreviated in the literature also as OME-<i>n</i>, PODE<i>n</i>, POMDME<i>n</i>, or OMDME<i>n</i>) are currently discussed as renewable fuels. Despite fuel + OH reactions are crucial for the combustion chemistry and atmospheric degradation of fuels, experimental kinetic data on OME-<i>n</i> + OH do not exist in the literature for <i>n</i> &gt; 1; only estimated or theoretically calculated values are available. In the present work, we present an experimental kinetic study of the reactions OH + OME-2 and OH + OME-3. For verification and comparison, identical experiments were also performed on the somewhat better-known reactions of OH with OME-1 and with the cyclic ethers 1,3,5-trioxane (TRI, C<sub>3</sub>H<sub>6</sub>O<sub>3</sub>) and tetrahydrofuran (THF, C<sub>4</sub>H<sub>8</sub>O) as well as its perdeuterated isotopologue (THF-d8, C<sub>4</sub>D<sub>8</sub>O). Rate coefficients were determined as a function of temperature and pressure in slow-flow reactors with the pulsed laser photolysis/laser-induced fluorescence technique. The experiments were performed at temperatures between 250 and 520 K and pressures ranging from 0.2 to 5 bar (OME-2), 0.2 to 10 bar (OME-3), 0.2 to 0.9 bar (OME-1, TRI), and 0.2 to 0.8 bar (THF, THF-d8) with helium as bath gas. No significant pressure dependence of the rate coefficients was observed. The generally very weak temperature dependences are parameterized in Arrhenius form. Structural influences on reactivity are discussed and compared with predictions from structure-reactivity relationships.</p>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 8","pages":"497-506"},"PeriodicalIF":1.5,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/kin.21794","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144473197","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}
引用次数: 0
A Quantitative Insight of Substituent Effect in Terms of Reactivity and Nucleophilicity in Rapid Aqueous Iodinations of Monosubstituted Benzene Derivatives Employing Hydrodynamic Voltammetry 用流体动力学伏安法定量观察单取代苯衍生物快速水碘反应性和亲核性中的取代基效应
IF 1.5 4区 化学
International Journal of Chemical Kinetics Pub Date : 2025-05-19 DOI: 10.1002/kin.21792
Snehal S. Latpate, Vivek V. Antad, Sachin R. Kate, Vitthal T. Borkar
{"title":"A Quantitative Insight of Substituent Effect in Terms of Reactivity and Nucleophilicity in Rapid Aqueous Iodinations of Monosubstituted Benzene Derivatives Employing Hydrodynamic Voltammetry","authors":"Snehal S. Latpate,&nbsp;Vivek V. Antad,&nbsp;Sachin R. Kate,&nbsp;Vitthal T. Borkar","doi":"10.1002/kin.21792","DOIUrl":"https://doi.org/10.1002/kin.21792","url":null,"abstract":"<div>\u0000 \u0000 <p>Reactivity and nucleophilicity are enlightening aspects of the substituent effect (SE) in most aromatic electrophilic and nucleophilic substitution reactions. Herein, we have quantitatively delved into the reactivity of some monosubstituted benzene derivatives having either an electron donating or withdrawing substituent by exploring the real time progress of their rapid aqueous iodinations at pH 7.4 using iodine solutions devoid of iodide ions chronoamperometrically, employing hydrodynamic voltameter (HV) reinforced with a sensitive Keithley 2450 Digital Source Meter (KDSM). All the reactions are studied in purely aqueous medium using micromolar quantities of reactants, wherein green chemistry principles are adhered, ensuring sustainable development. Voltammograms of the substrates in the reactions were acquired to evince their reduction propensities, these being a quantitative measure of their nucleophilicities. The reactivity of these substrates was evidenced in terms of their specific reaction rates, half-lives, energies of activation, and entropies of activation, while their nucleophilicities were revealed in terms of the half-wave potentials. Unanticipated concomitant kinks in reactivity and nucleophilicity trends have been observed, and a linear mathematical correlation between them has been established in the reactions studied.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 8","pages":"487-496"},"PeriodicalIF":1.5,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144473035","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
Kinetics of Tautomerization Reactions of Trithiocyanuric Acid at Low Temperatures 低温下三硫氰尿酸互变异构反应动力学研究
IF 1.5 4区 化学
International Journal of Chemical Kinetics Pub Date : 2025-05-18 DOI: 10.1002/kin.21793
Judith Würmel, John M. Simmie
{"title":"Kinetics of Tautomerization Reactions of Trithiocyanuric Acid at Low Temperatures","authors":"Judith Würmel,&nbsp;John M. Simmie","doi":"10.1002/kin.21793","DOIUrl":"https://doi.org/10.1002/kin.21793","url":null,"abstract":"<div>\u0000 \u0000 <p>Photochemical irradiation of tri-thiocyanuric acid at low temperatures results in the formation of a higher energy isomer, the tri-thiol 1,3,5-triazine-2,4,6-trithiol [Rostkowska Journal of Physical Chemistry A 109 (2005): 2160]. The question arises as to how, and whether, the latter can revert to its parent 1,3,5-triazine-2,4,6-trithione in a reasonable time at temperatures of 10–300 K. Quantum chemical calculations using both density functional and wave function theories attempt to compute the kinetics of the return voyage. We show that reactivity is dominated by hydrogen atom tunneling and conformational changes, calculated from variational transition state theory allied to small-curvature tunneling effects, rather than purely thermal reactions, and that there is no way back during the usual laboratory lifetimes. Both water and methanol are shown to act as catalysts by both accepting and donating hydrogen atoms, reducing the barrier to reaction by more than one-half and enhancing the reaction rate, with methanol being the more effective agent.</p></div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 8","pages":"479-486"},"PeriodicalIF":1.5,"publicationDate":"2025-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144473024","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
Effect of Hydrogen Bonding Interaction on Kinetics of Cyclopentanol Reaction With Hydroperoxyl Radical at Atmospheric and Combustion Temperatures: A Theoretical Study 常压和燃烧温度下氢键相互作用对环戊醇与羟基自由基反应动力学影响的理论研究
IF 1.5 4区 化学
International Journal of Chemical Kinetics Pub Date : 2025-05-09 DOI: 10.1002/kin.21790
Yaozong Duan, Fashe Li, Hua Wang
{"title":"Effect of Hydrogen Bonding Interaction on Kinetics of Cyclopentanol Reaction With Hydroperoxyl Radical at Atmospheric and Combustion Temperatures: A Theoretical Study","authors":"Yaozong Duan,&nbsp;Fashe Li,&nbsp;Hua Wang","doi":"10.1002/kin.21790","DOIUrl":"https://doi.org/10.1002/kin.21790","url":null,"abstract":"<div>\u0000 \u0000 <p>The reaction kinetics of hydrogen abstractions from cyclopentanol by hydroperoxyl radical have been comprehensively studied using multistructural canonical variational transition state theory with small curvature tunneling approximation (MS-T-CVT/SCT). The barrier heights and reaction energies have been calculated at the CCSD(T)/cc-pVDZ and CCSD(T)/cc-pVTZ levels of theory with basis set corrections from MP2/cc-pV<i>n</i>Z (where <i>n</i> = D, T, and Q), based on the geometries optimized with the M06-2X/6-311+G(2df,2p) method. The rate coefficients of different hydrogen abstraction sites (α-carbon, β-carbon, γ-carbon, and OH) have been calculated by direct dynamics based on M08-HX/jun-cc-pVTZ electronic structure calculations, as this model chemistry shows the lowest averaged mean unsigned error relative to the benchmark CCSD(T) method. The reaction barrier heights for hydrogen abstraction from various sites follow the order of α-carbon &lt; γ-carbon &lt; β-carbon &lt; OH and follow the order of C─H and O─H bond dissociation energies. Kinetic results suggest that the multistructural torsional anharmonicity, tunneling, and hydrogen bonding interaction are important influential factors for calculating accurate rate coefficients and branching ratios. Hydrogen abstraction reaction from α-carbon site shows the largest contribution to the overall rate coefficients below 1100 K, beyond which hydrogen abstraction reactions from β-carbon and γ-carbon sites become dominant. Hydrogen bonding interaction involved in the transition states significantly reduces the reaction barrier heights and accelerates the single-structural rate coefficients at lower temperatures, but has only a marginal impact on the overall and site-specific MS-T-CVT/SCT rate coefficients, except for the hydrogen abstraction reaction from β-carbon site. However, hydrogen bonding interaction influences the MS-T-CVT/SCT branching ratios. The thermodynamic properties of cyclopentanol and four derived fuel radicals are calculated using the atomization method together with the multistructural partition functions. The simulated auto-ignition reactivity of cyclopentanol/air mixtures is sensitive to the newly calculated rate coefficients and thermodynamic parameters, especially at low temperatures.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 8","pages":"461-478"},"PeriodicalIF":1.5,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144473028","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
Antimicrobial Potential of Green Synthesized Silver Nanoparticles From the Fruit of Azadirachta indica a High-Valued Medicinal Plant 高价值药用植物印楝果实绿色合成纳米银的抗菌潜力
IF 1.5 4区 化学
International Journal of Chemical Kinetics Pub Date : 2025-05-08 DOI: 10.1002/kin.21791
Muhammad Junaid, Rizwan Ali, Abdul Qadir Ahmad, Muhammad Amjad Riaz, Mahmood Basil A. AL-Rawi, Muhammad Ibrar, Mohammed El-Meligy, Irfan Ullah Khan
{"title":"Antimicrobial Potential of Green Synthesized Silver Nanoparticles From the Fruit of Azadirachta indica a High-Valued Medicinal Plant","authors":"Muhammad Junaid,&nbsp;Rizwan Ali,&nbsp;Abdul Qadir Ahmad,&nbsp;Muhammad Amjad Riaz,&nbsp;Mahmood Basil A. AL-Rawi,&nbsp;Muhammad Ibrar,&nbsp;Mohammed El-Meligy,&nbsp;Irfan Ullah Khan","doi":"10.1002/kin.21791","DOIUrl":"https://doi.org/10.1002/kin.21791","url":null,"abstract":"<div>\u0000 \u0000 <p>The activity and stability of nanoparticles synthesized from plants; green-synthesized nanoparticles are obtaining more consideration from scientists. This work aimed to synthesize the green silver nanoparticles (AgNPs) using the fruit extract of <i>Azadirachta indica</i> A. Juss. The fruit extract acts as both a capping and reducing agent. The physicochemical properties of synthesized nanoparticles were studied through x-ray diffraction (XRD), FT-IR, UV-vis, scanning electron microscopy (SEM), and EDX. Furthermore, antioxidant properties and antibacterial activity of the nanoparticles were also studied. The reaction was preceded under sunlight, and the color of the reaction mixture changed from colorless to dark brown, indicating the production of Ag nanoparticles. A UV-vis analysis revealed an absorption peak of 429 nm, which was measured after 30 min of reaction. The XRD spectroscopy results suggest that the nanoparticles are crystalline with an average diameter of 36.50 µm. SEM images show that the majority of the AgNPs are spherical and fairly distributed. The obtained AgNPs showed efficient antibacterial activity against gram-negative (<i>Escherichia coli</i>) and gram-positive (<i>Staphylococcus</i>) bacterial species. Surprisingly, the synthesized Ag nanoparticles from <i>A. indica</i> fruit by the DPPH assay method show 55% antioxidant activity.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 8","pages":"455-460"},"PeriodicalIF":1.5,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144472909","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
Kinetic Studies of Copper Leaching From E-Waste Using Organic Acids 有机酸浸出电子垃圾中铜的动力学研究
IF 1.5 4区 化学
International Journal of Chemical Kinetics Pub Date : 2025-05-07 DOI: 10.1002/kin.21788
Yasmeen Madeeh Abdel-Fatah, Tarek Ali Elbarbary, Ibrahim Ahmed Ibrahim
{"title":"Kinetic Studies of Copper Leaching From E-Waste Using Organic Acids","authors":"Yasmeen Madeeh Abdel-Fatah,&nbsp;Tarek Ali Elbarbary,&nbsp;Ibrahim Ahmed Ibrahim","doi":"10.1002/kin.21788","DOIUrl":"https://doi.org/10.1002/kin.21788","url":null,"abstract":"<div>\u0000 \u0000 <p>The hydrometallurgy processing of copper from electronic waste (e-waste) by citric and malic acids was studied as a friendly leaching process. Influencing factors, for example, contact time, temperature, pulp density, and acid concentration, were studied. These studies revealed that 98.07% of copper can be dissolved by using 0.5 g e-waste/100 mL of 3% citric acid at 70°C for 15 h. Whereas, 100% can be leached by using 0.5 g/100 mL of 1% malic acid at 80°C for 20 h. Also, the mechanism of leaching by these acids was studied and found that the leaching process is performed by acidification and complexion reactions. Finally, kinetic studies of copper leaching were studied using the modified shrinking core models.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 7","pages":"446-451"},"PeriodicalIF":1.5,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144135538","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
Determination of Key Rate Parameters of the Thermal DeNOx Process by Optimization of a Detailed Combustion Kinetic Mechanism 通过详细的燃烧动力学机理优化确定热脱氧过程的关键速率参数
IF 1.5 4区 化学
International Journal of Chemical Kinetics Pub Date : 2025-04-26 DOI: 10.1002/kin.21789
András György Szanthoffer, Máté Papp, Peter Glarborg, Hamid Hashemi, István Gyula Zsély, Tamás Turányi
{"title":"Determination of Key Rate Parameters of the Thermal DeNOx Process by Optimization of a Detailed Combustion Kinetic Mechanism","authors":"András György Szanthoffer,&nbsp;Máté Papp,&nbsp;Peter Glarborg,&nbsp;Hamid Hashemi,&nbsp;István Gyula Zsély,&nbsp;Tamás Turányi","doi":"10.1002/kin.21789","DOIUrl":"https://doi.org/10.1002/kin.21789","url":null,"abstract":"<p>The thermal DeNO<sub>x</sub> process is a widely used NO<sub>x</sub> emission control technique, but its chemical kinetic description still lacks accuracy. In the present work, two key kinetic parameters of the thermal DeNO<sub>x</sub> process were investigated: the branching fraction (<i>α</i>) of the NH<sub>2</sub> + NO reaction, and the rate coefficient of the unimolecular decomposition of NNH (inverse lifetime of NNH, <i>τ</i><sub>NNH</sub>). Values of these rate parameters were determined using a mechanism optimization method that utilizes both direct and indirect data and minimizes the value of an error function. Data were collected from the literature and available in data files on the ReSpecTh site (https://ReSpecTh.hu). Indirect experimental data used as optimization targets were NO mole fractions measured in tubular flow reactors. The most recent nitrogen chemistry mechanism of Glarborg and coworkers (2024) was used as the initial mechanism. Inconsistency was found between the indirect experimental data, and therefore mechanism optimization was not feasible using all the indirect data. Using a new algorithm, a consistent subset of indirect data was identified. The optimized value of <i>τ</i><sub>NNH</sub> (8.5 ∙ 10<sup>−11</sup> s) is approximately an order of magnitude smaller than in the initial mechanism (10<sup>−9</sup> s), but consistent with theoretical calculations. The posterior uncertainty of <i>τ</i><sub>NNH</sub> is significantly smaller than its prior uncertainty. The optimized value of the branching fraction is different from its initial value by less than 2%, but due to the very large sensitivity of the simulation results to <i>α</i>, this small change improves the performance of the mechanism noticeably. The width of the posterior uncertainty range of <i>α</i> is approximately half that of its prior uncertainty range, estimated using only direct measurements. This is a significant improvement, but more accurate indirect experimental data are needed to further increase the accuracy of the determination of <i>α</i>.</p>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 7","pages":"434-445"},"PeriodicalIF":1.5,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/kin.21789","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144135750","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}
引用次数: 0
A Green Approach to Silver Nanoparticle Synthesis Using Glycyrrhiza glabra to Investigations Antimicrobial Applications 绿色途径合成光甘草纳米银的抗菌应用研究
IF 1.5 4区 化学
International Journal of Chemical Kinetics Pub Date : 2025-04-21 DOI: 10.1002/kin.21787
Muhammad Junaid, H. M. Ameen Soomro, Abdul Qadir Ahmad, Sehrish Faiz, Nouman Ali Shahid, Mahmood Basil A. Al-Rawi, Muhammad Amjad Riaz, Mohd Arif Dar, Mohammed El-Meligy, Irfanullah Khan
{"title":"A Green Approach to Silver Nanoparticle Synthesis Using Glycyrrhiza glabra to Investigations Antimicrobial Applications","authors":"Muhammad Junaid,&nbsp;H. M. Ameen Soomro,&nbsp;Abdul Qadir Ahmad,&nbsp;Sehrish Faiz,&nbsp;Nouman Ali Shahid,&nbsp;Mahmood Basil A. Al-Rawi,&nbsp;Muhammad Amjad Riaz,&nbsp;Mohd Arif Dar,&nbsp;Mohammed El-Meligy,&nbsp;Irfanullah Khan","doi":"10.1002/kin.21787","DOIUrl":"https://doi.org/10.1002/kin.21787","url":null,"abstract":"<div>\u0000 \u0000 <p>This study focuses on the green synthesis and characterization of silver nanoparticles (Ag-NPs) using <i>Glycyrrhiza glabra</i> root extract as a natural reducing agent. The antimicrobial potential of these nanoparticles was evaluated against a range of pathogens, including both bacteria and fungi. The synthesis process was initiated by adding <i>Glycyrrhiza glabra</i> root extract to a silver nitrate solution, resulting in a distinct color change from colorless to dark yellow, and eventually to black, signaling the formation of Ag-NPs. The formation and properties of the nanoparticles were further confirmed through UV–visible spectroscopy, which revealed a strong surface plasmon resonance peak at 421 nm, characteristic of Ag-NPs. X-ray diffraction (XRD) analysis showed that the nanoparticles possessed a face-centered cubic (FCC) structure, confirmed by the observation of well-defined Bragg reflections. Additionally, Energy Dispersive x-Ray Spectroscopy (EDX) and scanning electron microscopy (SEM) analyses were performed to assess the elemental composition and morphology of the synthesized nanoparticles. EDX results confirmed the presence of silver, while SEM images revealed the presence of nanoparticle aggregates, though no distinct morphology was observed. The antimicrobial activity of the synthesized Ag-NPs was tested against both Gram-positive and Gram-negative bacteria, with results indicating a significantly stronger antimicrobial effect against Gram-negative bacteria. These findings highlight the promising potential of green-synthesized Ag-NPs as effective antimicrobial agents, providing a sustainable and eco-friendly approach to nanoparticle synthesis with significant implications for various biomedical applications.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 7","pages":"426-433"},"PeriodicalIF":1.5,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144135775","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
In Situ Carbon Coating Induced by Molecular Intercalation for Fabricating Advanced High F-Content KVPO4F Cathode Toward Potassium-Ion Batteries 分子插层诱导原位碳涂层制备高含氟KVPO4F钾离子电池阴极
IF 1.5 4区 化学
International Journal of Chemical Kinetics Pub Date : 2025-04-07 DOI: 10.1002/kin.21785
Yu Dong, Wanyue Sheng, Mingqi Li, Qiwen Ran
{"title":"In Situ Carbon Coating Induced by Molecular Intercalation for Fabricating Advanced High F-Content KVPO4F Cathode Toward Potassium-Ion Batteries","authors":"Yu Dong,&nbsp;Wanyue Sheng,&nbsp;Mingqi Li,&nbsp;Qiwen Ran","doi":"10.1002/kin.21785","DOIUrl":"https://doi.org/10.1002/kin.21785","url":null,"abstract":"<div>\u0000 \u0000 <p>Although potassium (K) vanadyl phosphate fluoride (KVPO₄F) is considered one of the most promising cathode materials for K-ion batteries, its practical application is hindered by poor electronic conductivity and fluorine (F) loss during the synthesis process. In this work, a novel synthetic route is designed to realize the advanced KVPO₄F cathode material (denoted as KVPO<sub>4</sub>F@C) by adopting in situ carbon coating approach initiated by isobutanol molecular intercalation, delivering two distinct characteristics of high F-containing and limited particle growth. On one hand, the as-generated in situ carbon coating layer enhances the electronic conductivity of KVPO₄F material and prevents the particle agglomeration during the calcination process. On the other hand, the as-introduced V–F–C bonds at the KVPO₄F/C interface realizes a high F-containing of KVPO<sub>4</sub>F@C cathode material without large-scale F loss. As a result, the KVPO<sub>4</sub>F@C cathode retains a high discharge capacity of 63.94 mAh g⁻¹ after 100 cycles at 2C as well as superior rate performance. This study highlights the critical role of the pathway to realize carbon coating approach in enhancing the electrochemical performance of KVPO<sub>4</sub>F cathode.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 7","pages":"417-425"},"PeriodicalIF":1.5,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144135622","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
Rate Coefficient Measurements for the CH3SCH2OO Radical + NO Reaction Between 313 and 413 K 313 ~ 413 K间ch3sch200自由基+ NO反应速率系数的测定
IF 1.5 4区 化学
International Journal of Chemical Kinetics Pub Date : 2025-03-20 DOI: 10.1002/kin.21784
Zachary Finewax, Emmanuel Assaf, Andrew W. Rollins, James B. Burkholder
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