International Journal of Chemical Kinetics最新文献

{"title":"Mathematical Modeling and Dynamics of Cooperative Bi-Enzymatic Chemical Reaction in Response to pH and Thermal Factors","authors":"Akhtar Jan, Abdulah A. Alghamdi, Yamen Alharbi, A. K. Aljahdali","doi":"10.1002/kin.70093","DOIUrl":"https://doi.org/10.1002/kin.70093","url":null,"abstract":"<div>\u0000 \u0000 <p>The structure of a cell is well organized whereby enzymes catalyze complicated metabolic reactions. Considering the inherent complexity of these reactions, this paper has proposed a mathematical model of a bi-enzymatic cooperative chemical reaction. The key aim of this study is to examine how the pH and temperature control the model dynamics and stability through mathematical analysis. They are combined into a system of nonlinear coupled differential equations, whose invariant region, non-negativity are proved. The chemical equilibrium and velocity of the reaction is calculated through which the approximate stationary concentration of substrate <span></span><math>\u0000 <semantics>\u0000 <msub>\u0000 <mi>S</mi>\u0000 <mn>2</mn>\u0000 </msub>\u0000 <annotation>$S_2$</annotation>\u0000 </semantics></math> is derived. Lyapunov functions and eigenvalues are used to illustrate the model's stability and boundedness. By using the derived expression for the steady-state concentration of <span></span><math>\u0000 <semantics>\u0000 <msub>\u0000 <mi>S</mi>\u0000 <mn>2</mn>\u0000 </msub>\u0000 <annotation>$S_2$</annotation>\u0000 </semantics></math>, a biochemical application associated with the formation of cyclic adenosine monophosphate (cAMP) and mononucleotide (MN) is investigated within the proposed model. In particular, the stationary concentration of cAMP is analyzed. The impact of pH and temperature on the stability of the system is examined by incorporating the Henderson–Hasselbalch relation and the Arrhenius law. The analytical results demonstrate that the system exhibits stable behavior when the pH lies in the interval <span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mn>7</mn>\u0000 <mo>≤</mo>\u0000 <mtext>pH</mtext>\u0000 <mo>≤</mo>\u0000 <mn>7.4</mn>\u0000 </mrow>\u0000 <annotation>$7 le text{pH} le 7.4$</annotation>\u0000 </semantics></math> and the temperature range is <span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mn>300</mn>\u0000 <mspace></mspace>\u0000 <mi>K</mi>\u0000 <mo>≤</mo>\u0000 <mi>T</mi>\u0000 <mo>≤</mo>\u0000 <mn>320</mn>\u0000 <mspace></mspace>\u0000 <mi>K</mi>\u0000 </mrow>\u0000 <annotation>$300,text{K} le T le 320,text{K}$</annotation>\u0000 </semantics></math>. Additionally, the analysis of ionic strength, allosteric regulation of the model with cooperativity, and the variations in rate constants <span></span><math>\u0000 <semantics>\u0000 <msub>\u0000 <mi>k</mi>\u0000 <mn>2</mn>\u0000 </msub>\u0000 <annotation>$k_2$</annotation>\u0000 </semantics></m","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 10","pages":"854-870"},"PeriodicalIF":1.7,"publicationDate":"2026-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148816461","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":"Chemical Kinetics of 2-, 4-, and 2,4-Seleno-Uracils at Low Temperatures: Tautomerizations and Rotamerizations on Inert Matrices","authors":"Judith Wurmel,&nbsp;John M. Simmie","doi":"10.1002/kin.70098","DOIUrl":"https://doi.org/10.1002/kin.70098","url":null,"abstract":"<p>In the interstellar medium, chemical reactions proceed under conditions vastly different to those on Earth; these include extremely low temperatures and densities and take place in the gas phase and on water–ice grains. Understanding the energetics and more importantly the kinetics of such reactions is of relevance to the consequences on how terrestrial life emerged. Thermal reactions are largely absent if there is a substantial energy barrier but reactions proceeding by tunneling through the barrier can become important. Recent experiments conducted on an inert matrix at low temperatures showed that a 2-seleno-uracil, present in an oxo-selenone conformation, irradiated with UV light was converted into a higher-energy oxo-selenol form which spontaneously reverted in the dark within hours. We show that hydrogen-atom tunneling is solely responsible to explain this result and demonstrate that 2,4-diseleno-uracil would behave similarly but not 4-seleno-uracil within typical laboratory test times.</p>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 10","pages":"881-889"},"PeriodicalIF":1.7,"publicationDate":"2026-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/kin.70098","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148816542","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":"Effect of Mechanical Activation on Recovery and Leaching Kinetics of Copper From Reverberatory Furnace Slags","authors":"Milad Rahimian,&nbsp;Hamidreza Hafizpour,&nbsp;Soroush Parvizi","doi":"10.1002/kin.70088","DOIUrl":"https://doi.org/10.1002/kin.70088","url":null,"abstract":"<div>\u0000 \u0000 <p>Mechanical activation (MA) has been widely used to enhance the leaching efficiency of copper-bearing wastes by modifying their physicochemical properties. In this study, the effect of mechanical activation on copper recovery from reverberatory furnace slag was systematically investigated through sulfuric acid leaching. The influence of key parameters, including temperature, particle size, mechanical activation time, oxidant addition, and acid concentration, was evaluated. The results demonstrated that up to nearly 100% copper recovery was achieved under optimized conditions (5 h mechanical activation, 3.6 M H₂SO₄, 343 K, particle size of 110 µm). Kinetic analysis was performed using the shrinking core model. The linear relationships obtained from F(x)–t and ln k–ln d plots indicate that diffusion through the residual ash layer governs the leaching process. The apparent activation energy was determined to be 17.4 kJ·mol⁻¹, which is consistent with a diffusion-controlled mechanism.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 10","pages":"805-812"},"PeriodicalIF":1.7,"publicationDate":"2026-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148816548","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":"Molecular Interaction of Antihypertensive Drug Aliskiren With Cetyltrimethylammonium Bromide and Sodium Dodecyl Sulfate Surfactants in Aqueous Solution","authors":"Syed Salman Shafqat,&nbsp;Misbah Khalid,&nbsp;Arshi Abbas,&nbsp;Muhammad Faizan Nazar,&nbsp;Syed Rizwan Shafqat,&nbsp;Saba Rashid,&nbsp;Hina Fatima Tahira,&nbsp;Nadeem Raza","doi":"10.1002/kin.70085","DOIUrl":"https://doi.org/10.1002/kin.70085","url":null,"abstract":"<div>\u0000 \u0000 <p>Microheterogeneous surfactant assemblies have ability to solubilize, encapsulate and protect active drug molecules from adverse environmental conditions and enhance their bioavailability. The aim of the present study is to reveal the molecular interaction of the antihypertensive drug aliskiren (ALI) with ionic surfactants cetyltrimethylammonium bromide (CTAB) and sodium dodecyl sulfate (SDS) and evaluate the binding properties of drug-surfactant systems. The quantitative assessment of the drug molecules incorporated in the micellar system provides valuable information about the activities and physicochemical properties required for the design of improved drug delivery system. The extent of molecular interaction of an aqueous solution of ALI was investigated with different concentrations of conventional ionic surfactants CTAB and SDS at 25°C. The effect of ionic surfactants on drug properties was evaluated using UV-visible spectroscopy and conductivity measurements. Moreover, steady-state fluorescence (SSF) measurements were performed to investigate drug-surfactant interaction modes, which were quantified by determining the drug-surfactant binding constant and partition coefficient of ALI between the aqueous medium and the micellar phase. Moreover, differential spectroscopy technique was used to calculate the Gibbs free energies. The drug-surfactant binding constant obtained from fluorescence spectroscopy was found to be in good agreement with differential spectroscopic data. Additionally, the results revealed that binding process of drug and surfactant was observed to be spontaneous in nature and ionic surfactants were found to promote dissolution of the ALI interior due to their electrostatic attractive forces and large hydrophobic head groups which may result in controlled release of drug.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 10","pages":"761-772"},"PeriodicalIF":1.7,"publicationDate":"2026-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148816578","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 the Thermal Dehydration of Sodium Sulfate Decahydrate Using Model-Free and Model-Fitting Approaches","authors":"Salma Ahmed Fakhry,&nbsp;Mohamed Abdel Hakim,&nbsp;Refaat Mohamed Mahfouz","doi":"10.1002/kin.70083","DOIUrl":"https://doi.org/10.1002/kin.70083","url":null,"abstract":"<div>\u0000 \u0000 <p>This study investigates the complex dehydration kinetics of sodium sulfate decahydrate (Na₂SO₄.10H₂O). Analysis of TG/DTG data reveals that the dehydration process proceeds via five complex steps. Using isoconversional methods (FR, FWO, and DAEM), the kinetic parameters (E_a and ln A) of the individual steps were obtained. The <i>E</i>_a − α plots revealed that all deconvoluted processes are driven by a single reaction mechanism identified as a diffusion model (D₃). A significant linear relationship between ln A and <i>E</i>_a with similar isokinetic temperatures characterized the kinetic compensation effect. Thermodynamic analysis indicates that the entire conversion is an endothermic and non-spontaneous process.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 10","pages":"752-760"},"PeriodicalIF":1.7,"publicationDate":"2026-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148816577","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":"Micelle-Templated AgBrLDH Hierarchical Catalysts for Near-Complete Mineralization of Hydroxypropyl Guar Gum via Synergistic Photo-Persulfate Activation","authors":"Wenyan Tan,&nbsp;Bingbing Bai,&nbsp;Chunhui Wang,&nbsp;Xiang Li,&nbsp;Ke Xu,&nbsp;Ying Tang","doi":"10.1002/kin.70079","DOIUrl":"https://doi.org/10.1002/kin.70079","url":null,"abstract":"<div>\u0000 \u0000 <p>To address the limitations of low specific surface area and narrow light absorption range of catalysts in the persulfate-light dual oxidation system, structured hydrotalcites (LDHs) with high specific surface areas were prepared using worm-like micelles formed by surfactants as soft templates. Concurrently, the combination of structured LDHs with AgBr yielded supported structured hydrotalcite catalysts with enhanced photosensitivity. Furthermore, BET results demonstrated that the incorporation of the micelle template endowed the catalyst with a hierarchical pore structure, which facilitates mass transfer. UV-Vis diffuse reflectance spectroscopy (DRS) and electrochemical analyses confirmed that the loading of AgBr reduced the band gap of LDHs, thereby broadening the light absorption range of the resulting catalyst. In the persulfate-light dual oxidation process, a maximum HPG degradation rate of 98.48% was achieved using structured LDHs as support with n(Cu:Mg:Al) = 0.05:2:1. A plausible degradation mechanism was proposed based on active species capture experiments and electron paramagnetic resonance (EPR) analysis, which revealed that h⁺, SO₄•⁻, and ¹O₂ generated in the photocatalytic and persulfate systems are responsible for the enhanced photocatalytic activity. These active species improve visible-light harvesting capability and accelerate the separation of photogenerated charge carriers, synergistically promoting HPG degradation.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 9","pages":"669-681"},"PeriodicalIF":1.7,"publicationDate":"2026-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615398","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":"Imiparmine Oxidative Removal by a Fenton Like Process Triggered by Ag+-persulfate Activated System","authors":"Khalid A. Alzahrani,&nbsp;Zaheer Khan,&nbsp;Nada Shaeel Al-Thabaiti","doi":"10.1002/kin.70071","DOIUrl":"https://doi.org/10.1002/kin.70071","url":null,"abstract":"<div>\u0000 \u0000 <p>The growing discharge of pharmaceuticals from industrial sources poses a significant toxicological impact on the environment because of their stable nature. In this study, the removal of the tricyclic antidepressant imipramine drug by the Fenton-like Ag⁺-persulfate system was carried out for the first time. The imipramine remediation followed the pseudo-first-order kinetic model, and the rate constant fitted with the Arrhenius equation. The persulfate exhibited a concentration-based dual effect on the imipramine degradation. The activation energy (E_a = 30.0 kJ/mol), activation enthalpy (ΔH^# = 33.2 kJ/mol), activation entropy (ΔS^# = −161.8 JK⁻¹ mol⁻¹), and free energy of activation (ΔG^# = 48.2 kJ/mol) have been calculated. The imipramine oxidative degradation rate decreased with increasing initial imipramine concentration and increased with rising pH. The presence of quenchers inhibited the removal of imipramine. The reactive radical species (SO₄^−• and HO^•) co-exist in an Ag⁺/persulfate system, and SO₄^−• takes the major role in oxidative removal of imipramine. The inorganic anions (Cl⁻, NO₃⁻, HCO₃⁻, and H₂PO₄⁻) and humic acid had a negative effect on oxidative degradation of imipramine. The 60.6% of imipramine was degraded under the background of real water with 0.14 molar ratio of Ag⁺/S₂O₈²⁻. The determination of degradation products was performed by gas chromatography-mass spectrometry. These findings suggest the possible application of the Ag⁺/S₂O₈²⁻ system in the treatment of vast aquatic organic pollutants.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 9","pages":"682-693"},"PeriodicalIF":1.7,"publicationDate":"2026-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615175","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":"Nonlinear Dynamics and Thermodynamics Research on Non-Catalytic Oscillation Reaction of Green Tea","authors":"Shuntang Liu,&nbsp;Xiang Chen,&nbsp;Chunxia Zhu,&nbsp;Li Xia,&nbsp;Jiaoliang Wang","doi":"10.1002/kin.70075","DOIUrl":"https://doi.org/10.1002/kin.70075","url":null,"abstract":"<div>\u0000 \u0000 <p>The non-catalytic oscillation reaction system of green tea was studied systematically in the paper, and the effects of the concentrations of each reactant (green tea, KBrO₃ and H₂SO₄) and temperature were explored. The research results show that Optimal oscillation occurred at 20.00 mg/mL green tea, 0.54 mol/L H₂SO₄, 0.056 mol/L KBrO₃, and 298.15 K, and activation energies were 80.09 kJ/mol (induction) and 43.68 kJ/mol (oscillation). Using the Arrhenius equation and thermodynamics, reaction order and parameters were determined. The negative entropy change (Δ<i>S</i>&lt;0) indicates a transition from disorder to order.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 9","pages":"619-626"},"PeriodicalIF":1.7,"publicationDate":"2026-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148616800","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 Palladium Catalyzed Methoxycarbonylation of Vinyl Acetate to Methyl-2-Acetoxypropionate for the Synthesis of Lactic Acid","authors":"Sunil S. Tonde,&nbsp;Kalpendra B. Rajurkar,&nbsp;Nitin S. Pagar","doi":"10.1002/kin.70072","DOIUrl":"https://doi.org/10.1002/kin.70072","url":null,"abstract":"&lt;div&gt;\u0000 \u0000 &lt;p&gt;Lactic acid is crucial for food production and energy generation in body. It also has been a key monomer of poly lactic acid, biodegradable plastic. As methoxy carbonylation of vinyl acetate (VAM) produces methyl-2-acetoxypropionate, and methyl lactate as intermediates for lactic acid, its kinetic investigations are important to understand the reaction behavior. In this paper a study was conducted on the kinetics of methoxyarbonylation for vinyl acetate in a semi-batch slurry reactor across a temperature range of 363–383K, utilizing [PdCl&lt;sub&gt;2&lt;/sub&gt;(PPh&lt;sub&gt;3&lt;/sub&gt;)&lt;sub&gt;2&lt;/sub&gt;] catalyst. The effect of catalyst, methanol, vinyl acetate monomer (VAM) concentration and partial pressure of carbon monoxide (CO) on the reactants and products concentration was investigated with respect to time. Catalytic methoxycarbonylation of VAM produces methyl acetoxy propionate which further forms methyl lactate and methyl acetate through consecutive reaction. Methyl acetoxy propionate and methyl lactate thus formed can be converted to lactic acid through hydrolysis. The methoxycarbonylation conditions produce byproducts dimethyl acetate and methyl acetate through parallel reaction. Based on the initial rate data of formations of lactic acid precursors through methoxycarbonylation and consecutive reaction byproducts through parallel reaction, and trend behavior of initial rates with concentrations of reactants, different empirical rate equations were evaluated. The integral concentration-time data was fitted to evaluate the kinetic parameters at various temperatures. General elimination method and thermodynamic principles were used to suggest an appropriate empirical rate equation as shown below.&lt;/p&gt;\u0000 &lt;p&gt;&lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mtable&gt;\u0000 &lt;mtr&gt;\u0000 &lt;mtd&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;r&lt;/mi&gt;\u0000 &lt;mn&gt;1&lt;/mn&gt;\u0000 &lt;/msub&gt;\u0000 &lt;mo&gt;=&lt;/mo&gt;\u0000 &lt;mfrac&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mo&gt;(&lt;/mo&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;k&lt;/mi&gt;\u0000 &lt;mn&gt;1&lt;/mn&gt;\u0000 &lt;/msub&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;C&lt;/mi&gt;\u0000 &lt;mi&gt;W&lt;/mi&gt;\u0000 &lt;/msub&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;C&lt;/mi&gt;\u0000 &lt;mi&gt;A&lt;/mi&gt;\u0000 &lt;/msub&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;C&lt;/mi&gt;\u0000 &lt;mi&gt;B&lt;/mi&gt;\u0000 &lt;/msub&gt;\u0000 ","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 9","pages":"627-636"},"PeriodicalIF":1.7,"publicationDate":"2026-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615120","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":"Effect of Strain Rate on NO Formation Characteristics in One-Dimensional Counterflow Diffusion Flame of CH4/NH3 Fuel With O2/CO2 Oxidizer","authors":"Mino Woo,&nbsp;Byung Chul Choi","doi":"10.1002/kin.70078","DOIUrl":"https://doi.org/10.1002/kin.70078","url":null,"abstract":"<div>\u0000 \u0000 <p>This study introduces the effect of strain rate on the NO formation characteristics using simple one-dimensional counterflow diffusion flame model. This study found that NO formation strongly depends on the global strain rate in the counterflow diffusion flame. Depending on the global strain rate, the NO formation either monotonically or nonmonotonically increases with increasing oxygen content in the oxidizer. This is primarily attributed to the increase in the net NO formation rate with increasing strain rate, leading to a narrower flame zone. The overestimation in the GRI-Mech 3.0 mechanism is mainly associated with the NO formation within the HNO pathway, especially with H + HNO ↔ H2 + NO, HNO + M ↔ H + NO + M, and HNO + OH ↔ H2O + NO reactions. The Mendiara–Glarborg and Glarborg 2018 mechanisms conform well with the measured trend regardless of the range of global strain rate, while GRI-Mech 3.0 and Okafor's mechanisms demonstrate reasonably good agreement, except at low strain rate corresponding to laminar flame.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 9","pages":"658-668"},"PeriodicalIF":1.7,"publicationDate":"2026-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615439","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}