International Journal of Chemical Kinetics最新文献

{"title":"Design, Scale-Up, and Dynamic Simulation of a Patented Bayonet Reactor for Commercial Hydrogen Production via Sulfur-Iodine Water Splitting","authors":"Li Wei Yap,&nbsp;Wan Yi Ong,&nbsp;Karl Kolmetz,&nbsp;Jobrun Nandong,&nbsp;Noraini Mohd,&nbsp;Parthiban Siwayanan","doi":"10.1002/kin.21778","DOIUrl":"https://doi.org/10.1002/kin.21778","url":null,"abstract":"<div>\u0000 \u0000 <p>The sulfuric acid decomposition reactor is a key component of the iodine-sulfur thermochemical cycle process. The design of the sulfuric acid decomposition reactor requires excellent corrosion resistance and mechanical strength performance. In this work, a patented reactor on a pilot scale was scaled up to an industrial scale. A plant equipment design for an industrial-scale reactor was performed. Based on an integrated inherent safety design approach, it was determined that the optimal thickness was 110 mm, and the design passed all stress analysis tests. With a minimum targeted hydrogen production rate of 1000 kg/h, the process design yielded a reactor with a diameter of 7 m and a height of 30 m, while silicon carbide was chosen as the construction material. The scaled-up reactor was dynamically simulated in MATLAB. Simulink demonstrated that both the reactor temperature and product flow rates successfully produced a stable response within 1.8 and 4 h of operation, respectively.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 4","pages":"284-294"},"PeriodicalIF":1.5,"publicationDate":"2025-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143466081","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}

{"title":"Adsorption Performance and Mechanistic Pathways of Raw Powdered Pine Cone Toward the Removal of Dye and Cr(VI)","authors":"Mecibah Wahiba,&nbsp;Bouasla Souad,&nbsp;Cherifi Mouna,&nbsp;Ridha Djellabi,&nbsp;Boutemine Nabila,&nbsp;Chahrazed Djilani,&nbsp;Krid Ferial,&nbsp;Djazi Fayçal","doi":"10.1002/kin.21774","DOIUrl":"https://doi.org/10.1002/kin.21774","url":null,"abstract":"<div>\u0000 \u0000 <p>This work aims to valorize pine cones powder (PCP), an agricultural waste, as a bioadsorbent for the removal of a cationic dye, Rhodamine B (RhB), and hexavalent chromium Cr(VI) from an aqueous solution. The adsorbent was characterized by scanning electron microscopy (SEM), Fourier-transformed infrared (FTIR), and X-ray diffractometer (XRD) spectroscopy. Adsorption studies were carried out in a batch mode under different operating parameters like initial solution pH (2–11), adsorbent dosage (0.025–0.6 g), initial contaminant concentration (20–100 mg/L), temperature (283–328K), contact time (0–120 min), and ionic strength (NaCl, MgCl₂, CuSO₄, Na₂SO₄, and FeCl₃). The optimum conditions for adsorption for Cr(VI) were; ([Cr(VI)] = 30 mg/L, pH = 2, adsorbent dose = 1.5 g/L, T = 25°C), and for RhB: ([RhB] = 30 mg/L, pH = 4.6, adsorbent dose = 4 g/L, T = 25°C). Under these conditions, the maximum adsorption capacities reached were 19.861 and 6.565 mg/g, for Cr(VI) and RhB, respectively. The inhibiting effect of the studied salts on RhB dye and metal ion removal is as follows: FeCl₃ &gt; CuSO₄&gt; MgCl₂&gt; Na₂SO₄&gt; NaCl. The Freundlich isotherm described the best the adsorption of Cr (VI) and RhB onto PCP, since it gave the highest R² values (R² ≥ 0.983) associated with the lowest error values (χ², RMSE, and Δq). The calculated Dubinin–Radushkevich mean energy (E) is less than 8 kJ/mol. It is 3.391 kJ/mol for Cr(VI) and 2.310 kJ/mol for RhB sorption, respectively, confirming the physical character of adsorption onto PCP sorbent. Experimental data for Cr(VI) and RhB ion adsorption onto PCP, fitted well the pseudo-second-order kinetic model (R² ≥ 0.997). According to the thermodynamic analysis, the retention of Cr(VI) and RhB followed a physisorption, endothermic, and spontaneous process at all temperatures for Cr(VI), and at higher temperatures for RhB dye. These results suggest that raw PCP may be envisaged as a promising biosorbent for water remediation without the need of costly heat and activation processes as a cheap and sustainable adsorption process.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 4","pages":"263-283"},"PeriodicalIF":1.5,"publicationDate":"2025-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143466082","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}

{"title":"Non-Isothermal Decomposition Kinetics of Hafnium and Zirconyl Hydrogentellurates","authors":"Georgi Rusev,&nbsp;Velyana Georgieva,&nbsp;Svetlana Genieva,&nbsp;Ivaylo Tankov","doi":"10.1002/kin.21773","DOIUrl":"https://doi.org/10.1002/kin.21773","url":null,"abstract":"<div>\u0000 \u0000 <p>The thermal characteristics of zirconyl and hafnium hydrogentellurates, ZrO(HTeO₄)₂ × 4H₂O (ZrOTe) and Hf(HTeO₄)₄ × 8H₂O (HfTe), were investigated via non-isothermal decomposition kinetics in this paper for the first time. Important kinetic parameters such as activation energy (<i>E_A</i>), pre-exponential factor (<i>A</i>) and <i>g</i>(<i>α</i>) function were determined using Coats-Redfern integral method. The latter was verified by means of <i>z</i>(<i>α</i>) master plots. In addition, plausible decomposition mechanisms for the title compounds were offered. Based on the <i>E_A</i> values, less thermal stability for ZrOTe (633.69 kJ/mol) with respect to HfTe (872.24 kJ/mol) was observed. Thermodynamic functions (Δ<i>S</i>^≠, Δ<i>H</i>^≠, and Δ<i>G</i>^≠) of the activated complexes generated during the thermal decomposition steps were studied as well. A high positive Δ<i>H</i>^≠ value (855.70 kJ/mol) for the thermal decomposition of HfTe indicated formation of high-ordered activated complexes. In contrast, lower Δ<i>H</i>^≠ (612.50 kJ/mol) for ZrOTe suggested easier formation the transition states in that case.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 4","pages":"254-262"},"PeriodicalIF":1.5,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143466250","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}

{"title":"Kinetics of reduction of m-iodonitrobenzene by aqueous ammonium sulfide under liquid–liquid phase transfer catalysis","authors":"Snigdha Senapati,&nbsp;Narayan C. Pradhan","doi":"10.1002/kin.21772","DOIUrl":"https://doi.org/10.1002/kin.21772","url":null,"abstract":"<p>Hydrogen sulfide generated during hydrotreatment of sour crude oil fractions could be absorbed into aqueous ammonium hydroxide to produce ammonium sulfide. This ammonium sulfide can then be utilized to produce commercially valuable aromatic amino compounds by reducing the corresponding nitro compounds. In this work, the reduction of <i>m</i>-iodonitrobenzene (<i>m</i>-INB) to <i>m</i>-iodoaniline (<i>m</i>-IA) was performed by aqueous ammonium sulfide using a phase transfer catalyst, tetrabutylammonium bromide (TBAB). The study scrutinized the influences of various parameters such as concentrations of TBAB and <i>m</i>-INB, as well as initial sulfide and ammonia concentrations, on the rate of reaction of <i>m</i>-INB. An 11-fold increase in reaction rate was obtained with only 0.09 kmol of catalyst TBAB per cubic meter of the organic phase. The selectivity of <i>m</i>-IA was found to be100%. The reaction was found to be kinetically controlled with an activation energy of 40.0 kJ/mol. The rate of reaction of <i>m</i>-INB was observed to be directly proportional to the concentrations of <i>m</i>-INB, initial sulfide, and catalyst. A pseudo-first order kinetic model was developed to correlate the conversion versus time data and an excellent agreement between observed and predicted reaction rates was obtained. The present work has very high commercial importance as it could be a viable alternative to the traditional Claus process to arrest H₂S released by petroleum refineries.</p>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 4","pages":"242-253"},"PeriodicalIF":1.5,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/kin.21772","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143466105","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}

{"title":"Rate Coefficients for the Cl Atom Gas-Phase Reaction With Permethylsiloxanes (PMS): L2, L3, L4, L5, D3, D4, D5, and D6","authors":"Daniel Van Hoomissen,&nbsp;Aparajeo Chattopadhyay,&nbsp;James B. Burkholder","doi":"10.1002/kin.21770","DOIUrl":"https://doi.org/10.1002/kin.21770","url":null,"abstract":"<p>Rate coefficients, <i>k</i>(T), for the gas-phase Cl atom reaction with hexamethyldisiloxane ((CH₃)₃SiOSi(CH₃)₃, L₂), <i>k</i>₁; octamethyltrisiloxane ([(CH₃)₃SiO]₂Si(CH₃)₂, L₃), <i>k</i>₂; decamethyltetrasiloxane ((CH₃)₃SiO[Si(CH₃)₂O]₂Si(CH₃)₃, L₄, <i>k</i>₃; dodecamethylpentasiloxane ((CH₃)₃SiO[Si(CH₃)₂O]₃Si(CH₃)₃, L₅, <i>k</i>₄; hexamethylcyclotrisiloxane ([-Si(CH₃)₂O-]₃, D₃), <i>k</i>₅; octamethylcyclotetrasiloxane ([-Si(CH₃)₂O-]₄, D₄), <i>k</i>₆; decamethylcyclopentasiloxane ([-Si(CH₃)₂O-]₅, D₅, <i>k</i>₇), and dodecamethylcyclohexasiloxane ([-Si(CH₃)₂O-]₆, D₆, <i>k</i>₈) were measured over a range of temperature (273–363 K) using a pulsed laser photolysis (PLP) – resonance fluorescence (RF) technique. The obtained <i>k</i>(296 K) and Arrhenius expressions with 2σ uncertainties including estimated systematic errors are (in units of 10⁻¹⁰ cm³ molecule⁻¹ s⁻¹):\u0000\u0000 </p><p>The cyclic permethyl siloxanes (cyclic PMS) were found to be less reactive than the analogous linear permethyl siloxane (linear PMS) with an equal number of CH₃- groups. Both linear and cyclic compounds show a linear relationship between the measured rate coefficient and the number of CH₃- groups in the molecule. A structure–activity relationship (SAR) is presented that reproduces the experimental data to within ∼10% at all temperatures. For [Cl] ≈ 10⁴ atom cm⁻³, an approximate free troposphere abundance, the PMS loss due to Cl atom reaction leads to relatively short estimated lifetimes of 7, 6, 5, 4, 20, 10, 7, and 5 days for L₂, L₃, L₄, L₅, D₃, D₄, D₅, and D₆, respectively. Therefore, the PMSs included in this study are classified as atmospherically very short-lived substances and Cl atom reaction represents a significant loss process.</p>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 3","pages":"213-231"},"PeriodicalIF":1.5,"publicationDate":"2024-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/kin.21770","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143113373","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}

{"title":"Sustainable Recycling of Perovskite Solar Cells: Green Solvent-Based Recovery of ITO Substrates","authors":"Sun-Ju Kim,&nbsp;Eun-Ju Jeong,&nbsp;Ji-Youn Seo","doi":"10.1002/kin.21771","DOIUrl":"https://doi.org/10.1002/kin.21771","url":null,"abstract":"<div>\u0000 \u0000 <p>Perovskite solar cells (PSCs) emerge as a leading next-generation photovoltaic (PV) technology, with power conversion efficiencies (PCEs) reaching 26.7% for single cells and 36.1% for hybrid tandem cells. As commercialization progresses, the inverted (p–i–n) structure of PSCs gains attention due to its enhanced thermal stability, lower moisture sensitivity, and reduced processing temperatures compared to the conventional (n–i–p) structure. However, sustainability concerns, particularly regarding production costs and end-of-life disposal, become increasingly critical. Recycling PSCs provides a viable solution to these challenges by recovering valuable indium tin oxide (ITO) substrates, which significantly impact material costs. Existing recycling methods for conventional PSCs often use toxic solvents like chlorobenzene (CB) and <i>N</i>,<i>N</i>-dimethylformamide (DMF), posing environmental and health risks. This study introduces an eco-friendly recycling process for ITO-based inverted PSCs using acetone as a green solvent. The results show that recycled ITO substrates maintain their physical, electrical, and optical properties without significant degradation in PSC performance, even after multiple recycling cycles. This green solvent-based approach not only preserves device efficiency but also supports future environmental regulations, highlighting its potential in promoting sustainable and cost-effective PV technologies.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 4","pages":"235-241"},"PeriodicalIF":1.5,"publicationDate":"2024-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143466228","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}

{"title":"Rate coefficients for the gas-phase reaction of OH radicals with the L4, L5, D5, and D6 permethylsiloxanes","authors":"François Bernard,&nbsp;James B. Burkholder","doi":"10.1002/kin.21769","DOIUrl":"https://doi.org/10.1002/kin.21769","url":null,"abstract":"<p>Rate coefficients, <i>k</i>(T), for the gas-phase OH radical reaction with decamethyltetrasiloxane ((CH₃)₃SiO[Si(CH₃)₂O]₂Si(CH₃)₃, L₄, <i>k</i>₁), dodecamethylpentasiloxane ((CH₃)₃SiO[Si(CH₃)₂O]₃Si(CH₃)₃, L₅, <i>k</i>₂), and decamethylcyclopentasiloxane ([–Si(CH₃)₂O–]₅, D₅, <i>k</i>₃), and dodecamethylcyclohexasiloxane ([–Si(CH₃)₂O–]₆, D₆, <i>k</i>₄) were measured using a pulsed laser photolysis—laser induced fluorescence absolute method over the temperature range 270–370 K. The obtained room temperature rate coefficients, with quoted 2σ absolute uncertainties, and fitted temperature dependence are (cm⁻³ molecule⁻¹ s⁻¹):\u0000\u0000 </p><p>The 2σ absolute rate coefficient uncertainty, for all compounds included in this study, is conservatively estimated to be ∼10% over the entire temperature range. The cyclic permethylsiloxanes were found to be less reactive than the analogous linear compound, while both linear and cyclic compounds show increasing reactivity with increasing number of CH₃- groups. A structure activity relationship (SAR) parameterization for the permethylsiloxanes is presented. The estimated atmospheric lifetimes due to OH reaction for L₄, L₅, D₅, and D₆ are 5.2, 4.4, 6.8, and 5.2 days, respectively.</p>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 3","pages":"199-212"},"PeriodicalIF":1.5,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/kin.21769","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143117051","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}

{"title":"Systematic study on the hydrogen abstraction reactions from oxygenated compounds by H and HO2","authors":"Hiroki Oppata,&nbsp;Daisuke Shimokuri,&nbsp;Akira Miyoshi","doi":"10.1002/kin.21761","DOIUrl":"https://doi.org/10.1002/kin.21761","url":null,"abstract":"<p>To extend the rule-based approach for hydrogen abstraction reactions from oxygenated compounds, a systematic investigation was performed to examine the reactivity of gas-phase hydrogen abstraction reactions from alkyl groups (methyl and ethyl groups) bound to oxygen atoms in five types of oxygenated compounds (alcohols, ethers, formate esters, acetate esters, and carbonate esters) by H atoms and HO₂ radicals comprehensively considering rotational conformers. Quantum chemical calculations were conducted at the CBS-QB3 level for stationary points. Rate constants were determined employing conventional transition state theory (TST). For hydrogen abstraction reactions by H, the rotational conformer distribution partition function was employed to approximate partition functions, owing to the similarity in vibrational energy-level structures among conformers. In hydrogen abstraction reactions by HO₂, the vibrational structures of transition-state (TS) conformers varied significantly due to the hydrogen bonding, leading to an inappropriate evaluation of rate constants when using the lowest-energy conformer as a representative. Therefore, the rate constants were calculated by the multi-structural TST. It was revealed that the differences in functional groups containing O atoms mainly affect the bond dissociation energies of the C–H bonds and the activation energies of hydrogen abstraction reactions only when the C atoms are adjacent to the O atoms. Additionally, it was found that hydrogen bonds formed in the TSs show minor effect on rate parameters for the overall rate constants, apart from the reduction of the pre-exponential factors for the H-abstraction reactions from the methylene position of ethyl groups. The comparison with the rate constants from previous studies showed reasonable results, indicating that the rate constants in this study, which thoroughly consider rotational conformers, can be the current best estimates.</p>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 3","pages":"164-184"},"PeriodicalIF":1.5,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/kin.21761","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143111928","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}

{"title":"Kinetic studies on the sulfathiazole degradation by activated persulfate with ascorbic acid and cysteine","authors":"Zaheer Khan,&nbsp;Khloud Saeed Al-Thubaiti,&nbsp;Hayat M. Albishi","doi":"10.1002/kin.21768","DOIUrl":"https://doi.org/10.1002/kin.21768","url":null,"abstract":"<p>In this study, ascorbic acid (AA) and cysteine (Cys) were used as homogeneous potassium persulfate (S₂O₈²⁻) activators. The efficiency of the S₂O₈²⁻/AA and S₂O₈²⁻/Cys systems was investigated to generate sulfate radicals (SO₄^−•) for the oxidation of sulfathiazole (STZ). The presence of AA and Cys displayed a promoting effect on the activation of S₂O₈²⁻. The results indicated that the STZ/S₂O₈²⁻ redox reaction followed pseudo-first order kinetics with respect to STZ concentrations. The oxidative degradation of STZ is accelerated by temperature, dose of S₂O₈²⁻, AA, Cys, and pH with S₂O₈²⁻/AA and/or S₂O₈²⁻/Cys systems. The degradation rates of STZ followed the order S₂O₈²⁻/AA &gt; S₂O₈²⁻/Cys &gt; S₂O₈²⁻ under similar experimental conditions. The presence of SO₄^−• and HO^• were tested with two radical scavengers, tertiary butanol (TBA) and ethanol, in which HO^• was mainly responsible for STZ degradation at higher pH. In summary, S₂O₈²⁻/AA and S₂O₈²⁻/Cys systems might provide a potentially useful technique for remediation of water contaminants.</p>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 3","pages":"185-198"},"PeriodicalIF":1.5,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143111943","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}

{"title":"Kinetic investigation on palladium-catalyzed carbonylation of allyl alcohol","authors":"Sunil S. Tonde,&nbsp;Kalpendra B. Rajurkar,&nbsp;Nitin S. Pagar","doi":"10.1002/kin.21767","DOIUrl":"https://doi.org/10.1002/kin.21767","url":null,"abstract":"<p>Palladium-catalyzed carbonylation of allyl alcohol to 3-butenoic acid has been investigated. A significant effect of halide promoters, <i>p</i>-tolylsulfonic acid (TsOH), water, solvents, and PPh₃ concentration activity and selectivity has been studied. Detailed kinetics of this reaction was investigated in a temperature range of 363–383 K. The influence of parameters such as stirring speed, allyl alcohol, catalyst, benzyltriethylammonium chloride (BTEAC), TsOH concentrations, and CO partial pressures on the activity and selectivity has been studied. An empirical rate equation was suggested and found to be fairly consistent with observed rate data. In addition, the activation energy and kinetic parameters were evaluated.</p>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 3","pages":"153-163"},"PeriodicalIF":1.5,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143119249","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}