International Journal of Chemical Kinetics最新文献

{"title":"Temperature-Dependent Kinetic Study of the Gas Phase Ozonolysis of Linalool, Nerol, and Citronellol","authors":"Mohamad Ghaleb Alossaily, Mirna Shamas, Abdelkhaleq Chakir, Estelle Roth","doi":"10.1002/kin.21776","DOIUrl":"https://doi.org/10.1002/kin.21776","url":null,"abstract":"<div>\u0000 \u0000 <p>The gas phase reactions of the ozonolysis of three monoterpene alcohols: linalool, nerol, and citronellol, were investigated using a rigid atmospheric simulation chamber coupled to a proton transfer reaction-mass spectrometer (PTR-ToF-MS) to monitor the concentrations of the investigated compounds. Reaction rate constants were determined over the temperature range of 298–353 K at atmospheric pressure. Reaction rate constants (×10<sup>16</sup> cm<sup>3</sup> molecule<sup>−1</sup> s<sup>−1</sup>) at 298 K are 3.12 ± 0.30 for linalool, 8.89 ± 0.90 for nerol, and 2.11 ± 0.10 for citronellol. The following Arrhenius expressions were established (cm<sup>3</sup> molecule<sup>−1</sup> s<sup>−1</sup>):\u0000<span></span><math>\u0000 <semantics>\u0000 <mtable>\u0000 <mtr>\u0000 <mtd>\u0000 <mrow>\u0000 <mspace></mspace>\u0000 <msub>\u0000 <mi>k</mi>\u0000 <mrow>\u0000 <mtext>linalool</mtext>\u0000 <mo>+</mo>\u0000 <msub>\u0000 <mi>O</mi>\u0000 <mn>3</mn>\u0000 </msub>\u0000 </mrow>\u0000 </msub>\u0000 <mo>=</mo>\u0000 <mrow>\u0000 <mo>(</mo>\u0000 <mn>3.52</mn>\u0000 <mo>±</mo>\u0000 <mn>1.80</mn>\u0000 <mo>)</mo>\u0000 </mrow>\u0000 <mo>×</mo>\u0000 <mrow></mrow>\u0000 <msup>\u0000 <mn>10</mn>\u0000 <mrow>\u0000 <mo>−</mo>\u0000 <mn>13</mn>\u0000 </mrow>\u0000 </msup>\u0000 <mi>exp</mi>\u0000 <mrow>\u0000 <mo>(</mo>\u0000 <mo>−</mo>\u0000 <mrow>\u0000 <mo>(</mo>\u0000 <mn>2115</mn>\u0000 <mo>±</mo>\u0000 <mn>163</mn>\u0000 <mo>)</mo>\u0000 </mrow>\u0000 <mo>/</mo>\u0000 <mi>T</mi>\u0000 <mo>)</mo>\u0000 </mrow>\u0000 </mrow>\u0000 </mtd>\u0000 </mtr>\u0000 <mtr>\u0000 <mtd>\u0000 <mrow>\u0000 <mspace></mspace>\u0000 <msub>\u0000 <mi>k</mi>\u0000 <mrow>\u0000 ","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 5","pages":"342-350"},"PeriodicalIF":1.5,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143698703","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":"Dependence of Oleic Acid Ozonolysis Rate on Film Thickness From Surface to Bulk Phases: Experimental and Modeling Approaches","authors":"Hiroo Hata,&nbsp;Shoma Hoshino,&nbsp;Michiya Fujita,&nbsp;Kenichi Tonokura","doi":"10.1002/kin.21780","DOIUrl":"https://doi.org/10.1002/kin.21780","url":null,"abstract":"<p>The surface and bulk reactions involved in alkene ozonolysis were investigated via reaction-system modeling using oleic acid (OA) as the representative alkene. Fourier transform infrared spectroscopy (FITR) confirmed the production of several products, including ketones and esters, as reported previously. Kinetic analysis of the experimental results indicated that the ozonolysis rate-constant was 14.6 times higher on the OA surface than in the liquid-bulk phase. Reaction-diffusion equation modeling of the surface/bulk kinetics of OA ozonolysis indicated that approximately 80% of the ozonolysis occurred on the surface of the OA thin films, over different thickness ranges, with the same result observed for all thicknesses examined (0.5–10 µm). The rate constants of the surface and bulk phase kinetics and the diffusivity of the reaction system do not affect the heterogeneousness of OA ozonolysis, indicating that the constant kinetics of surface/bulk reactions could be applied to the various size of particulate matter evaluated by air quality modeling.</p>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 5","pages":"332-341"},"PeriodicalIF":1.5,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/kin.21780","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143698824","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":"n-Dodecane Mechanism With ANN-Assisted Reduction for CFD Modeling to Predict Formation of Light-Weight Aromatics and Soot in Diffusion Flames: Comparison With Experimental Data","authors":"Anurag Dahiya,&nbsp;Hairong Tao,&nbsp;Kuang C. Lin","doi":"10.1002/kin.21775","DOIUrl":"https://doi.org/10.1002/kin.21775","url":null,"abstract":"<div>\u0000 \u0000 <p><i>n</i>-Dodecane, a key component in diesel and aviation fuel, is commonly used to simulate real-world diesel and aviation fuels (Jet-A and Chinese RP-3). Since existing <i>n</i>-dodecane kinetic mechanisms may not fully address the complexities of aromatics formation during combustion, this study proposes a mechanism that not only extends the capability of predicting 16 light-weight aromatics but also provides a compact size with improved accuracy in predicting combustion characteristics. Using a two-step reduction method involving path flux analysis (PFA) and artificial neural network (ANN) without tuning kinetic parameters, the newly constructed mechanism consisting of 155 species and 827 reactions is coupled with a 2-D computational fluid dynamics (CFD) model of a laminar diffusion flame that well reproduces experimentally measured centerline profiles of flame temperature, aromatics and soot volume fraction in combustion of methane doped with <i>n</i>-dodecane. From the results obtained by CFD, we investigate the effect of <i>n</i>-dodecane on the spatial distributions of aromatics and reaction pathways, which have not been analyzed in previous literature.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 5","pages":"315-331"},"PeriodicalIF":1.5,"publicationDate":"2025-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143698757","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":"Characterization of Moroccan Raw and Modified Clay and Its Application in Removal of Methyl Orange Dye","authors":"Amal Mansouri,&nbsp;Ahmed Ait Aghazzaf,&nbsp;Khalid Draoui","doi":"10.1002/kin.21777","DOIUrl":"https://doi.org/10.1002/kin.21777","url":null,"abstract":"<div>\u0000 \u0000 <p>In this work, we study the characterization of raw clay extracted from Jbel Lahbib Region of Tetouan in the north of Morocco, and organo-modified clay by a cationic surfactant hexadecyltrimethylammonium bromide (CJL + HDTMA). In addition, we evaluate their potential to remove organic pollutants (methyl orange, MO) in aqueous solutions by means of the absorption techniques. All samples were characterized by XRD, FTIR, SEM-EDAX, TGA, BET, and zeta potential. The XRD results show that the principal peak d001 moved from <span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mn>14.7</mn>\u0000 </mrow>\u0000 <annotation>$14.7$</annotation>\u0000 </semantics></math> to <span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mn>23</mn>\u0000 </mrow>\u0000 <annotation>$hskip.001pt 23$</annotation>\u0000 </semantics></math> Åfor the modified clay, the specific surface area of the raw and modified clay is 68.28 and 1.47 m²/g, respectively. Furthermore, these results confirm the success of this modification. With raw clay extracted from Jbel Lehbib (CJL), the maximum adsorption capacity of MO is pH-dependent. Consequently, the MO adsorption is favored in the high acidic pH range. The adsorption kinetics of MO on both clays revealed that the equilibrium is rapidly obtained. Moreover, it is shown that the experimental data for MO adsorption on the two materials best fit the pseudo-second-order kinetic model. The adsorption isotherms indicate that the Sips and Temkin models correctly describe the adsorption of MO on the raw with experimental maximum adsorption value of 40.9 and 66.65 mg/g for raw and modified (CJL), respectively. The energy obtained from D-R model (6.9 KJ/mol for raw clay and 12.86 KJ/mol for modified clay) suggested that process is dominated by physisorption for raw clay and chemisorption for modified clay. Besides, the thermodynamic study revealed that MO adsorption by crude clay is exothermic (<span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mi>Δ</mi>\u0000 <msup>\u0000 <mi>H</mi>\u0000 <mo>∘</mo>\u0000 </msup>\u0000 <mo>=</mo>\u0000 <mo>−</mo>\u0000 <mn>2.39</mn>\u0000 </mrow>\u0000 <annotation>$Delta {rm H}^{circ }= -2.39$</annotation>\u0000 </semantics></math> KJ/mol), physical, and spontaneous.</p></div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 5","pages":"297-314"},"PeriodicalIF":1.5,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143698820","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":"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}