International Journal of Chemical Kinetics最新文献

{"title":"Synthesis, Surface Activity Study and Molecular Dynamics Simulations of a Cationic Quaternary Ammonium Salt Surfactant","authors":"Xianwu Jing,&nbsp;Yadong Zhang,&nbsp;Botao Tang,&nbsp;Yu Zhang,&nbsp;Zhicheng Zhang,&nbsp;Sensheng Li,&nbsp;Liudifeng Zhang,&nbsp;Limin Li","doi":"10.1002/kin.70069","DOIUrl":"https://doi.org/10.1002/kin.70069","url":null,"abstract":"<div>\u0000 \u0000 <p>A simple cationic surfactant, N,N-dimethyl-N-allyl-N-hexadecyl ammonium bromide (DHAB), was synthesized and subsequently characterized by infrared (IR) and nuclear magnetic resonance (NMR) spectroscopy. The relationship between DHAB concentration and the surface tension of its aqueous solution was experimentally determined, with a critical micelle concentration (CMC) of 1.2 mmol/L, at which DHAB can reduce the surface tension of water to 38 mN/m. Molecular dynamics (MD) simulations revealed that DHAB molecules spontaneously migrate to the water-air interface and form a layered structure in aqueous solution, analogous to watermelon vines crawling along the ground, which underlies the fundamental mechanism by which surfactants lower the surface tension of water. At concentrations above the CMC, DHAB molecules can further self-assemble into micelles in the aqueous bulk phase. In-depth analysis based on the independent gradient model based on Hirshfeld partition (IGMH) indicated that only extremely weak van der Waals interactions exist between DHAB molecules and their surrounding molecules.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 8","pages":"577-584"},"PeriodicalIF":1.7,"publicationDate":"2026-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148324198","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":"Ignition Characteristics of Methane–Ethylene Mixtures: Shock Tube Measurements and Chemical Kinetic Analysis","authors":"Shinichiro Ogawa","doi":"10.1002/kin.70057","DOIUrl":"https://doi.org/10.1002/kin.70057","url":null,"abstract":"&lt;div&gt;\u0000 \u0000 &lt;p&gt;In scramjet engines employing regenerative cooling, hydrocarbon fuels undergo endothermic cracking prior to injection, generating light hydrocarbons that strongly influence the ignition behavior. Among the major cracked products, methane and ethylene exhibited significantly different ignitabilities. However, the ignition characteristics of these mixtures under scramjet-relevant conditions remain insufficiently understood. This study examined the ignition-promoting effect of ethylene addition to methane using shock tube experiments and detailed chemical kinetics modeling. The ignition delay times were measured behind reflected shock waves at temperatures of 1100–1400 K and a pressure of approximately 7 atm for methane–ethylene mixtures ranging from 100/0 to 0/100 at equivalence ratios of &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;ϕ&lt;/mi&gt;\u0000 &lt;mo&gt;=&lt;/mo&gt;\u0000 &lt;mn&gt;0.5&lt;/mn&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;$phi = 0.5$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; and 1.0. Ignition delay was determined from &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;msup&gt;\u0000 &lt;mi&gt;OH&lt;/mi&gt;\u0000 &lt;mo&gt;*&lt;/mo&gt;\u0000 &lt;/msup&gt;\u0000 &lt;annotation&gt;${rm OH}^ast$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; chemiluminescence, and numerical simulations with sensitivity analyses were conducted. The results showed that the ignition delay decreased monotonically with increasing ethylene fractions. At &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;ϕ&lt;/mi&gt;\u0000 &lt;mo&gt;=&lt;/mo&gt;\u0000 &lt;mn&gt;0.5&lt;/mn&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;$phi = 0.5$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt;, a 25% ethylene fraction reduced the ignition delay by 75%–80%, whereas reductions exceeding 90% were observed above 50% ethylene. Saturation behavior was observed for higher ethylene fractions. The USC Mech II model showed the best agreement with the experiments, indicating that ignition was governed by the chain-branching reaction &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;H&lt;/mi&gt;\u0000 &lt;mo&gt;+&lt;/mo&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;O&lt;/mi&gt;\u0000 &lt;mn&gt;2&lt;/mn&gt;\u0000 &lt;/msub&gt;\u0000 &lt;mspace&gt;&lt;/mspace&gt;\u0000 &lt;mo&gt;⇌&lt;/mo&gt;\u0000 &lt;mspace&gt;&lt;/mspace&gt;\u0000 &lt;mi&gt;O&lt;/mi&gt;\u0000 &lt;mo&gt;+&lt;/mo&gt;\u0000 &lt;mi&gt;OH&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;${rm H} + {rm O}_2 ,rightleftharpoons , {rm O} + {rm OH}$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; and ethylene-specific vinyl radical pathways. Sensitivity analyses further indicated that methane mainly acts as an OH radical sink in the low-temperature region. These findings provide ignition delay data and mechanistic insights relevant to scramjet combustion ","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 8","pages":"457-469"},"PeriodicalIF":1.7,"publicationDate":"2026-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148324011","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":"Adsorptive Decontamination of Methyl Violet 6B Using a Trimetallic CuCrFe–BDC Metal Organic Framework: Equilibrium Isotherms, Kinetic Modeling & Thermodynamic Insights","authors":"Sultan Alam,&nbsp;Ali Umar,&nbsp;Najeeb Ur Rahman,&nbsp;Hira Zaman,&nbsp;Muhammad Zahoor","doi":"10.1002/kin.70063","DOIUrl":"https://doi.org/10.1002/kin.70063","url":null,"abstract":"<div>\u0000 \u0000 <p>This work presents the solvothermal synthesis of a trimetallic CuCrFe–BDC Metal-Organic Framework (CuCrFe-BDC MOF), designed for highly efficient and stable adsorption of Methyl Violet 6B (MV-6B) dye from aqueous media. Detailed characterization via SEM, XRD, FTIR, BET, TGA, zeta potential, EDX, and elemental mapping was carried out. FTIR analysis verified all pivotal functionalgroup signatures, while XRD confirmed a highly crystalline phase exhibiting sharp, well-defined diffraction peaks. TGA demonstrated exceptional thermal resilience up to 600°C. BET measurements revealed a remarkable specific surface area (626 m²/g) with pronounced microporosity, ideal for high-performance adsorption. The material was synthesized with an average nanoscale particle size of 87 nm, forming larger aggregates around 289 nm. Under optimized conditions of 0.01 g adsorbent dosage, 333 K, pH 8, and a 60 min contact time, the trimetallic CuCrFe-BDC MOF achieved over 91 % removal of MV-6B dye. Adsorption kinetics followed a pseudo-secondorder model (<i>R</i>² &gt; 0.99), indicating chemisorption dominance. Equilibrium data conformed closely to the Langmuir isotherm (<i>R</i>²  =  0.99), with a maximum monolayer adsorption capacity of 416 mg/g at 333 K. Thermodynamic analysis revealed an endothermic process, by positive enthalpy change (ΔH°  = 17.79 kJ/mol ) that is spontaneous across the temperature range studied, as evidenced by consistently negative ΔG° values. The adsorption mechanism likely includes chemisorption combined with π–π stacking, pore-filling, electrostatic interactions, and hydrogen bonding. Importantly, the CuNiZnBDC MOF maintained its structural integrity and recyclability over seven adsorption–desorption cycles, retaining 65 % removal efficiency. These findings underline the potential of this robust, high-capacity MOF as an effective adsorbent for industrial wastewater applications.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 8","pages":"477-494"},"PeriodicalIF":1.7,"publicationDate":"2026-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148324262","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":"Activity Based Model Development for Esterification Reaction of-Propionic Acid and n-Propyl Alcohol With Solid Acidic Catalyst","authors":"Tirumalaiah Velivala,&nbsp;Rukmini Rayannagari,&nbsp;Mallaiah Mekala,&nbsp;Venkateswarlu Chimmiri","doi":"10.1002/kin.70065","DOIUrl":"https://doi.org/10.1002/kin.70065","url":null,"abstract":"<div>\u0000 \u0000 <p>The esterification reaction of n-propyl alcohol with n-propionic acid using Indion 140 solid catalyst is carried out in an isothermal batch reactor to produce n-propyl propionate and water. The reaction temperature is maintained in the range of 333–353 K and the catalyst loading varies from 0.01 to 0.03 g/cc. The mole ratio of n-propionic acid and n-propyl alcohol varies from 1:1 to 1:6. The influence of various parameters such as temperature, catalyst loading, initial reactant molar ratio, catalyst size, and agitation speed on the reaction rate are investigated. From the experimental results, it is observed that the reaction is kinetic controlled rather than mass transfer controlled. A second-order pseudo-homogeneous kinetic rate equation is used to fit the experimental data. The activation energies and forward reaction rate constants are obtained from the Arrhenius plot. The comparison of the simulation results with the experimental data indicates the second-order pseudo-homogeneous non-ideal kinetic model better describes the behavior of the esterification reaction. The rate equation thus developed in this work can be used in modeling and design of catalytic distillation involving esterification of propionic acid with propanol.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 8","pages":"519-529"},"PeriodicalIF":1.7,"publicationDate":"2026-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148324221","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":"Sustainable and Green Synthesis and Characterization of Nano MnOx-CeO2 Materials; Removal and Kinetic Studies of Carmoisine Dye","authors":"Imran Ali,&nbsp;Tatiana Kon'kova,&nbsp;Elena Liberman,&nbsp;Mouslim Messali,&nbsp;Noureddine El Messaoudi,&nbsp;Ahmed M. Hameed,&nbsp;Gunel Imanova","doi":"10.1002/kin.70062","DOIUrl":"https://doi.org/10.1002/kin.70062","url":null,"abstract":"<div>\u0000 \u0000 <p>Sustainable and green synthesis approaches were used to prepare nano-disperse MnO_x-CeO₂ photo-catalysts (MnO_x-CeO₂⁵⁰⁰ and MnO_x-CeO₂⁷⁰⁰). These were characterized by XRD, TEM, low-temperature nitrogen adsorption and XPS techniques. These materials were used to remove carmoisine azo dye from water. XRD studies established the formation of phase Mn-Ce-O solid solutions based on cerium dioxide, as well as the presence of Mn₂O₃ and Mn₃O₄. The particle sizes of MnO_x-CeO₂⁵⁰⁰ and MnO_x-CeO₂⁷⁰⁰ were 8–10 and 20–30 nm while the specific surface areas were 128 and 54 m²/g. According to XPS the content of high-energy oxygen (responsible for catalytic activity) decreased at high temperatures. The efficiency of removing carmoisine azo dye in the presence of ammonium persulfate was about 93% in a neutral medium with MnO_x-CeO₂⁵⁰⁰ material. Recycling was carried out and MnO_x-CeO₂⁵⁰⁰ material was effective for 89% removal after 20 cycles. The 89% removal capacity of MnO_x-CeO₂⁵⁰⁰ material after 20 recycles made it an economic one from an industrial point of view.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 8","pages":"507-518"},"PeriodicalIF":1.7,"publicationDate":"2026-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148324092","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":"Carbon-Based Catalysts Synthesized From Bio-Waste for Yielding Butyl Butyrate by Esterification Reaction: Experimental and Kinetic Study","authors":"Rakhi Soni,&nbsp;Ghoshna Jyoti","doi":"10.1002/kin.70067","DOIUrl":"https://doi.org/10.1002/kin.70067","url":null,"abstract":"<div>\u0000 \u0000 <p>In the present research work, a porous carbon-based heterogeneous catalyst has been prepared for the esterification of butyric acid with n-butanol to produce butyl butyrate. Butyl butyrate has exhibited promising characteristics as a jet fuel blend. Its physical properties partially meet the criteria for alternative aviation fuels, and it can be blended with conventional jet fuel up to 50%, thereby reducing carbon monoxide emissions. The reaction parameters and catalyst properties are crucial to achieve higher conversion in the esterification reaction. The catalyst was prepared from cheaper waste products such as groundnut shells and orange peels. Characterization methods, namely X-ray diffraction (XRD), fourier transport infrared spectroscopy (FTIR) and scanning electron microscopy (SEM) are employed to assess the properties and characteristics of catalysts. The performance of catalysts was examined by the esterification of butyric acid with n-butanol. The conversion of butyric acid achieved 66.88% and 61.57% at operating temperature 80°C, catalyst concentration 3% (w/w) and molar ratio 1:1 by using groundnut shell catalyst (GSC) and orange peels catalyst (OPC), respectively. Moreover, the effect of different parameters, namely reaction temperature, catalyst concentration and molar ratio of reactants on the conversion of butyric acid has been assessed.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 8","pages":"553-563"},"PeriodicalIF":1.7,"publicationDate":"2026-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148324263","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":"Numerical Study of H2O Dilution Effect on Laminar Combustion Characteristics of Premixed CH3OH/Air Flame","authors":"Zhuangzhuang Xu,&nbsp;Guogang Yang,&nbsp;Zhonghua Sheng,&nbsp;Han Sun,&nbsp;Xiaoxing Yang,&nbsp;Shengzheng Ji,&nbsp;Yue Yu","doi":"10.1002/kin.70060","DOIUrl":"https://doi.org/10.1002/kin.70060","url":null,"abstract":"<div>\u0000 \u0000 <p>This study systematically investigates the effects of equivalence ratio, H₂O dilution, and initial temperature on the laminar combustion characteristics of methanol/air flames through numerical simulations. The validation demonstrated that the San Diego mechanism exhibits superior predictive capability in calculating the laminar burning velocity (LBV) of the methanol/air flame. The findings of the study indicated a negative correlation between the LBV, thermal diffusivity, and adiabatic flame temperature of the premixed methanol/air flame and the H₂O volume fraction, and a positive correlation with the initial temperature. As the H₂O volume fraction increased, the LBV in the mixture exhibited a corresponding decline, reaching 49.18, 47.18, 45.43, 43.16, and 39.28 cm/s, respectively. The maximum exothermic heat released from the gas-phase reaction and the reactive radical (H, O, and OH) mole fractions are diminished in the presence of aqueous diluents, resulting in reduced temperatures and decreased fuel reactivity, which consequently decelerates the reaction rate. An increase in the H₂O volume fraction has been demonstrated to contribute to the hydrodynamic stability of the fluid during methanol combustion, as well as to a reduction in CO emissions.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 8","pages":"495-506"},"PeriodicalIF":1.7,"publicationDate":"2026-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148324118","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":"Evaluating Micellar and Interfacial Properties of Antidepressant Drugs Through Conductometric, Fluorometric, and Tensiometric Approaches","authors":"Toshikee Yadav,&nbsp;Deepti Tikariha Jangde,&nbsp;Anjali Sinha,&nbsp;Arvind Kumar Sahu,&nbsp;Srishti Sinha,&nbsp;Birendra Kumar","doi":"10.1002/kin.70048","DOIUrl":"https://doi.org/10.1002/kin.70048","url":null,"abstract":"&lt;div&gt;\u0000 \u0000 &lt;p&gt;The micellar and interfacial behavior of amphiphilic antidepressant drugs that is, amitriptyline hydrochloride (AMT), imipramine hydrochloride (IMP), chlorpromazine hydrochloride (CPZ) and desipramine hydrochloride (DSP) were investigated by using surface tension and fluorescence techniques at 300 K. The CMC values of all drugs were determined by conductivity meter at different temperatures (300 K–320 K). The critical micellar concentration (CMC), surface excess concentration (Γ&lt;sub&gt;max&lt;/sub&gt;), minimum surface area per molecule (&lt;i&gt;A&lt;sub&gt;min&lt;/sub&gt;&lt;/i&gt;) and surface pressure at CMC (π&lt;sub&gt;&lt;i&gt;CMC&lt;/i&gt; &lt;/sub&gt;), Stern-Volmer constant (&lt;i&gt;K&lt;/i&gt;&lt;sub&gt;&lt;i&gt;sv&lt;/i&gt; &lt;/sub&gt;), degree of micellar ionization (α), the Gibbs free energy of micellization (Δ&lt;i&gt;G&lt;/i&gt;&lt;sup&gt;○&lt;/sup&gt;&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt;), the Gibbs free energy of adsorption (Δ&lt;i&gt;G&lt;/i&gt;&lt;sup&gt;○&lt;/sup&gt;&lt;sub&gt;&lt;i&gt;ads&lt;/i&gt;&lt;/sub&gt;), Gibbs free energy at the air/water interface (G&lt;sup&gt;s&lt;/sup&gt;&lt;sub&gt;min&lt;/sub&gt;), standard enthalpy of micellization &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mo&gt;(&lt;/mo&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;Δ&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;msubsup&gt;\u0000 &lt;mi&gt;H&lt;/mi&gt;\u0000 &lt;mi&gt;m&lt;/mi&gt;\u0000 &lt;mo&gt;∘&lt;/mo&gt;\u0000 &lt;/msubsup&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;$({bm{Delta }}H_{bm{m}}^circ $&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt;) the standard entropy of micellization &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mo&gt;(&lt;/mo&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;Δ&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;msubsup&gt;\u0000 &lt;mi&gt;S&lt;/mi&gt;\u0000 &lt;mi&gt;m&lt;/mi&gt;\u0000 &lt;mo&gt;∘&lt;/mo&gt;\u0000 &lt;/msubsup&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;$({bm{Delta }}S_{bm{m}}^circ $&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt;) are important interfacial and thermodynamic parameters have also been determined. The result shows that the CMC values of drugs are obtained in increasing order CPZ&lt;AMT&lt;IMP&lt;DSP. Drug-adsorption at the air-water interface is indicated by high surface excess concentrations and low minimum areas per molecule, especially for CPZ hence lower CMC values are observed than AMT, IMP and DSP. Aggregation number (&lt;i&gt;Nagg&lt;/i&gt;) analysis revealed larger, tighter micelles for CPZ, whereas fluorescence analysis verified micelle formation and revealed compact micellar structures. The negative values of &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;Δ&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;msubsup&gt;\u0000 &lt;mi&gt;G&lt;/mi&gt;\u0000 &lt;mi&gt;m&lt;/mi&gt;\u0000 &lt;mo&gt;∘&lt;/mo&gt;\u0000 &lt;/msubsup&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;${bm{Delta }}G_{bm{m}}^circ $&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; of micell","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 7","pages":"334-343"},"PeriodicalIF":1.6,"publicationDate":"2026-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148070657","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":"High Adsorption Performance of a Porous Chitosan Scaffold With a Multilayer Structure for Congo Red Removal From Aqueous Media","authors":"Nguyen Thi Ngoc Anh,&nbsp;Tien Duc Pham,&nbsp;Nguyen Kim Nga","doi":"10.1002/kin.70053","DOIUrl":"https://doi.org/10.1002/kin.70053","url":null,"abstract":"<div>\u0000 \u0000 <p>Chitosan (CS) is a natural polysaccharide that has been extensively investigated for removing dyes from aqueous media owing to its environmentally friendly nature and cost-effective production. CS can be used in various forms, such as flakes, beads, particles, and thin films. In this work, our objective was to develop a green material for high-performance removal of Congo red (CR) from aqueous media. A porous CS scaffold with a multilayer structure was fabricated via solvent casting followed by freeze-drying for this purpose. The fabricated CS scaffold was characterized by FTIR, XRD, and scanning electron microscopy (SEM). The CR adsorption behavior of the CS scaffold was dependent on three main factors (i.e., contact time, adsorbent dosage, and pH). A high adsorption performance for the CR removal by the CS scaffold was achieved over a wide pH range of 4–10 with an optimal contact time of 120 min. The CR adsorption on the CS scaffold is best described by the Langmuir model. The maximum adsorption capacities of the CS scaffold increased with increasing temperature, being 344.83, 526.32, and 555.56 mg·g⁻¹ at 296, 306, and 311 K, respectively, which were higher than those of other CS adsorbents. This indicated endothermic nature and favorability of the CR adsorption (∆<i>H</i>° = 27.41 kJ·mol⁻¹, ∆<i>S</i>° = 182.73 J·K⁻¹·mol⁻¹, and ∆<i>G</i>° = −26.67 to –29.42 kJ·mol⁻¹) in a range of 296–311 K. The CR adsorption obeyed a pseudo-second-order kinetic model. Moreover, it maintained a high CR removal efficiency of 80% after five cycles of reuse, with a 2% hydrogen peroxide solution as the most effective eluent. This work highlights the potential of eco-friendly CS adsorbents for wastewater treatment toward sustainable development, offering a green alternative to conventional dye-treatment methods.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 7","pages":"407-416"},"PeriodicalIF":1.6,"publicationDate":"2026-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148098773","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":"A Shock-Tube Study of the HCl + M \u0000 \u0000 →\u0000 $to $\u0000 H + Cl + M (M = Ar) Rate Constant Using HCl Laser Absorption Near 3.3 µm","authors":"Claire M. Grégoire,&nbsp;Olivier Mathieu,&nbsp;Eric L. Petersen","doi":"10.1002/kin.70051","DOIUrl":"https://doi.org/10.1002/kin.70051","url":null,"abstract":"<p>Hydrogen chlorine (HCl) is an important combustion intermediate during plastic (municipal waste) and composite propellant (aerospace) combustion, but the understanding of its high-temperature chemistry is still evolving. In this study, the pyrolysis of 0.5% HCl in Ar was investigated behind reflected shock waves in a shock tube at temperatures ranging from 2290 to 3490 K and pressures from 0.7 to 3.6 atm. A laser source was set to access the R(8) transition line of H³⁵Cl in the fundamental band near 3.3 µm at the specific wavelength of 3045.06 cm⁻¹. Numerical predictions using chemical kinetics mechanisms from the literature did not capture well the decomposition behavior of HCl in our conditions. According to these models, the most sensitive reaction HCl + M <span></span><math>\u0000 <semantics>\u0000 <mo>→</mo>\u0000 <annotation>$to $</annotation>\u0000 </semantics></math> H + Cl + M (M = Ar) could be isolated, and its rate constant was retrieved from the experimental measurements. A pressure dependence was observed over the range of pressures covered. The present study measured the bimolecular reaction rate of the title reaction (<i>k</i>_{1.5 atm} in cm³·mol⁻¹·s⁻¹, <i>T</i> in K, <i>R</i> = 1.987 cal·mol⁻¹·K⁻¹) as:\u0000\u0000 </p><p>Finally, the results indicate that the measurements at pressures up to 3.6 atm in the present study were sufficient to determine that the title reaction is in its high-pressure limit.</p>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 7","pages":"371-382"},"PeriodicalIF":1.6,"publicationDate":"2026-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/kin.70051","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148082360","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}