International Journal of Chemical Kinetics最新文献

{"title":"Kinetics and Equilibrium Studies on the Adsorption Performance of Methylene Blue onto Terracotta Clay","authors":"Rirhandzu Mhlarhi,&nbsp;Wasiu Babatunde Ayinde,&nbsp;Joshua Nosa Edokpayi","doi":"10.1002/kin.70019","DOIUrl":"https://doi.org/10.1002/kin.70019","url":null,"abstract":"<p>Methylene blue (MB), a toxic, carcinogenic, and persistent dye, has constantly contaminated aquatic systems, posing serious risks to human health and environmental safety. In this study, the potential of natural raw terracotta clay, herein termed (RTC), to effectively sequester cationic MB dye from aqueous solution was evaluated. Effects of variations in sorption time (5–180 min), adsorbent dosage (0.01–1.0 g), initial adsorbate concentration (2–50 mg/L), adsorbate pH (2–12), temperature (298–323 K), and water chemistry were investigated for its successful removal in batch experiments. The optimum pH for MB adsorption was attained at 10. The kinetic data were best fit by the pseudo-second-order model, while the Langmuir isotherm model justified the state of equilibrium data. RTC achieved a maximum adsorption capacity of 23.10 mg/g at 298 K. Thermodynamics investigations revealed that the reactions were viable, spontaneous, and exothermic. The clays’ characterization revealed that it was crystalline and mesoporous. Furthermore, RTC demonstrated consistent performance in removing MB from aqueous solution over five consecutive regeneration cycles, indicating its good reusability. RTC is thus suited for the cost-effective and environmental friendliness removal of MB from aqueous solutions.</p>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 1-2","pages":"3-17"},"PeriodicalIF":1.6,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/kin.70019","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145831486","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":"Adsorption of Hexavalent Chromium on Raw and Activated Cassava Rhizome: Kinetic Analysis Using Mechanistic and Empirical (Regression and ANN) Models","authors":"Amira Ali Mohammed Makoof Zabanoot,&nbsp;Fatima Mahad Said Issa Al Amri,&nbsp;Hanan Nooh Bilal Al Hamir,&nbsp;Lubna Musallam Ahmed Al Hadhri,&nbsp;Miysam Yaslam Al Abd Al-Hadhrami,&nbsp;Selvaraju Sivamani","doi":"10.1002/kin.70017","DOIUrl":"https://doi.org/10.1002/kin.70017","url":null,"abstract":"<div>\u0000 \u0000 <p>Heavy metals adsorption by adsorbents prepared from natural materials is a low-cost, effective method for their removal from aqueous environments. This study aims to investigate the kinetic studies on the adsorption of hexavalent chromium from its aqueous solution on raw and activated cassava rhizome. The coarse and fine raw cassava rhizome powder was activated by thermal (drying), pyrolysis, 1% (v/v) acetic acid, and 1% (w/v) KOH solutions. The batch adsorption studies were carried out by varying time (0–60 min) with adsorption capacity (meq/g) as a dependent variable. Adsorption capacity increased with an increase in time up to 40 min and then remained constant for all adsorbents with variation in adsorption capacity from 1.5 to 2.1 meq/g in the order of fine pyrolysis &gt; fine thermal &gt; fine acid = coarse pyrolysis &gt; fine alkali = coarse thermal &gt; coarse acid &gt; coarse alkali &gt; raw fine &gt; raw coarse. Then, the effect of time on adsorption capacity data was fit to mechanistic models of pseudo-first, pseudo-second, zeroth, and half-order kinetics. Adsorption of hexavalent chromium on raw coarse and fine cassava rhizome powder followed pseudo-first-order kinetics. Also, the data were fit to empirical models based on regression and neural network, and the goodness of model fit was evaluated using the correlation coefficient (<i>R</i>). Regression analysis indicates the optimal fit with an <i>R</i> value of 0.9948 when the effect of time on adsorption capacity was investigated. Neural network analysis reveals the best fit at an <i>R</i> value of 0.9985. Hence, a higher rate constant for fine particles compared to coarse particles indicates that fine particles have a greater effective surface area and enhanced diffusional properties, facilitating more efficient adsorption, which suggests that the finer particles interact more with the adsorbate, allowing for quicker transport and adsorption processes.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 12","pages":"733-743"},"PeriodicalIF":1.6,"publicationDate":"2025-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145366274","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":"Efficient Removal of Basic Fuchsin Dye Using a Novel SnOFe2O3TiO2 Nanocomposite: Synthesis, Characterization, and Adsorption Statistic","authors":"Sonal B. Uplapwar,&nbsp;Umesh Fegade,&nbsp;Tariq Altalhi,&nbsp;Jayashri D. Bhirud","doi":"10.1002/kin.70013","DOIUrl":"https://doi.org/10.1002/kin.70013","url":null,"abstract":"<div>\u0000 \u0000 <p>The present study investigates the adsorption performance of SnOFe₂O₃TiO₂ nanocomposite for the removal of Basic Fuchsin (BF) dye from aqueous solution. The nanocomposite was synthesized via the coprecipitation method and characterized using various techniques such as TEM, SAED, and EDAX. TEM images confirmed the nanocomposite's crystalline structure with nanoscale particle sizes, while SAED patterns revealed its polycrystalline nature. EDAX analysis revealed the presence of Ti (54.9%), O (39.5%), Fe (4.8%), and Sn (0.7%), indicating TiO₂ as the dominant phase, with Fe and Sn contributing additional functionalities. Adsorption experiments were conducted to examine the effect of various operational parameters, such as pH, contact time, adsorbent dose, and initial dye concentration. The adsorption capacity increased with pH, reaching a maximum at pH 8.5. The adsorption process followed pseudo-second-order kinetics with a high correlation coefficient (<i>R</i>² = 0.99), indicating chemisorption as the primary mechanism. The Langmuir isotherm model best described the equilibrium data, with a maximum adsorption capacity (<i>Q</i>_max) of 344.42 mg/g at 25°C. Thermodynamic analysis showed that the adsorption process was spontaneous and exothermic, with a slightly negative enthalpy change (Δ<i>H</i>°) of −0.008314 kJ/mol and a negative Gibbs free energy (Δ<i>G</i>°) of −3.150 kJ/mol at 298 K. The SnOFe₂O₃TiO₂ nanocomposite exhibited excellent reusability, retaining over 90.71% of its adsorption capacity after five consecutive cycles of regeneration using a simple desorption process. These results demonstrate the potential of SnOFe₂O₃TiO₂ nanocomposite as a highly efficient and sustainable adsorbent for the removal of BF dye from wastewater.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 12","pages":"716-732"},"PeriodicalIF":1.6,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145366414","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":"Performance of the Water-Lean Mixture of 2-Amino-2-Methyl-1,3-Propanediol, Ethylene Glycol, and Propanol in CO2 Separation From Simulated Biogas","authors":"Shaurya Mohan,&nbsp;Prakash D. Vaidya","doi":"10.1002/kin.70012","DOIUrl":"https://doi.org/10.1002/kin.70012","url":null,"abstract":"<div>\u0000 \u0000 <p>AMPD (2-Amino-2-methyl-1,3-propanediol) is a candidate hindered amine for CO₂ separation from biogas. In this study, the performance of water-lean mixtures of AMPD with the organic solvents ethylene glycol (EG) and propanol (PrOH) was explored. Hindered amines load more CO₂, while organic solvents desorb CO₂ at low temperature. As a result, the proposed mixtures will be useful for improved CO₂ removal from biogas. Thus, CO₂ solubility in the blends AMPD/H₂O (AMPD = 1 M) and AMPD/EG/PrOH/H₂O (AMPD = 1 M, EG:PrOH = 1:1, H₂O = 15 wt.%) was measured at 303, 313, and 323 K. The equilibrium CO₂ partial pressure varied in the 0.05–240 kPa range. Upon replacing water with the chosen organic solvents, the rate of CO₂ desorption in AMPD doubled, and low-temperature regeneration (<i>T</i> = 363 K) was possible. Besides, the heat of CO₂ absorption was lowered too, as evident from the Gibbs–Helmholtz equation. Since these outcomes were encouraging, absorption kinetics were also studied in the fast pseudo-first order reaction regime using the stirred cell technique and rate constants at 308 K were reported. Such water-lean mixtures were hitherto scarcely studied, and we filled this gap in this work.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 12","pages":"705-715"},"PeriodicalIF":1.6,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145366462","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 Mixed Micellization Behavior of Gemini Surfactants on Kinetic Hydrolysis of Carboxylate Ester: A Comparative Study With Single Micellization System","authors":"Deepti Tikariha Jangde,&nbsp;Anjali Sinha,&nbsp;Birendra Kumar","doi":"10.1002/kin.70014","DOIUrl":"https://doi.org/10.1002/kin.70014","url":null,"abstract":"<div>\u0000 \u0000 <p>The hydrolysis of carboxylate ester, that is, p-nitrophenyl acetate (PNPA) with α-nucleophiles, such as acetohydroxamic acid (AHA) and benzohydroxamic acid (BHA), has been studied in mixed surfactant systems (CTAB + C₁₆-10-C₁₆, 2Br⁻; CTPB + C₁₆-10-C₁₆, 2Br⁻; CTAB + C₁₆-12-C₁₆, 2Br⁻; and CTPB + C₁₆-12-C₁₆, 2Br⁻) at pH 8.0 and 27°C. Each reaction proceeded with pseudo-first-order kinetics. The rate of reactions with a system of mixed gemini surfactants has been shown to accelerate noticeably. The gemini mixed system had a higher rate constant than the single surfactant system. Gemini surfactants' spacer length has been tested in single systems, and their rate data are contrasted with those of monomeric surfactants, such as cetytrimethylammonium bromide (CTAB) and cetytriphenylphosphonium bromide (CTPB).</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 12","pages":"697-704"},"PeriodicalIF":1.6,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145366268","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 and Thermodynamics of Tautomerization Reactions of 1,1- and 1,2-Ethenediols","authors":"Judith Würmel,&nbsp;John M. Simmie","doi":"10.1002/kin.70011","DOIUrl":"https://doi.org/10.1002/kin.70011","url":null,"abstract":"<p>Tautomerism is a common phenomenon amongst organic molecules with easily interconvertible isomers, which can impact drug action and toxicity. Here we are interested in the enols of carboxylic acids, which are known to be much less stable than their acid counterparts. We are concerned primarily with hydrogen-atom transfer reactions or keto <span></span><math>\u0000 <semantics>\u0000 <mo>⇌</mo>\u0000 <annotation>$rightleftharpoons$</annotation>\u0000 </semantics></math> enol tautomerism in ethenediols leading to acetic acid or glycoaldehyde and in particular the chemical kinetics at low temperatures where quantum mechanical tunneling plays a key role in the rates of reaction. We consider both the direct tautomerization reactions and those that are mediated by a water molecule, where the hydrogen transfer is facilitated by the formation of a low energy pre-reaction complex, and we present energy barriers for conformer isomerizations and hydrogen transfer reactions. We provide thermochemical data, including heats of formation, standard entropy, heat capacity, and enthalpy change for all isomeric forms of molecules under investigation.</p>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 12","pages":"687-696"},"PeriodicalIF":1.6,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/kin.70011","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145366959","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":"Distinguishing Kinetics and Mechanistic Approaches of Ce(IV) Efficient Oxidation of Cadaverine in HClO4 and H2SO4 Media","authors":"Nada Alqarni","doi":"10.1002/kin.70010","DOIUrl":"https://doi.org/10.1002/kin.70010","url":null,"abstract":"<div>\u0000 \u0000 <p>The kinetics of highly efficient oxidation of cadaverine (CAD) by Ce(IV) in both HClO₄ and H₂SO₄ solutions were examined using UV–Vis absorption spectra at numerous temperatures. The last products of CAD oxidation were recognized as ammonia and 5-aminopentanal, that is, an essential organic compound in both biological and chemical settings. From the obtained data, it's clear that the reactions’ kinetics demonstrated a first-order dependence in [Ce^IV], where they exhibited lower than unit orders with regard to [CAD] over the studied concentration range. In HClO₄ and H₂SO₄, the oxidation reactions showed positive and negative incomplete unit orders in [H⁺], correspondingly. Based on the obtained results, the mechanistic reactions’ pathways were suggested. The reliable rate laws were derived, and the reactions’ rate constants were estimated. In addition, the activation and thermodynamic parameters were calculated and discussed. This study illuminated the role of the oxidant, medium, temperature, and other conditions on the oxidation kinetics and mechanisms of these redox systems.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 11","pages":"674-683"},"PeriodicalIF":1.6,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145129229","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":"Reactive Molecular Dynamics Simulation of Methane-Oxygen Autoignition at High-Pressure Conditions","authors":"Jonathan Henry Martin,&nbsp;Benjamin Akih-Kumgeh","doi":"10.1002/kin.70009","DOIUrl":"https://doi.org/10.1002/kin.70009","url":null,"abstract":"<div>\u0000 \u0000 <p>An investigation of autoignition using molecular dynamics simulations and ReaxFF force fields is presented. The study is motivated by the fact that combustion at rocket engine conditions of high pressures can involve real gas behavior that is not captured by chemical kinetic models and kinetic solvers based on ideal gas assumptions. Also, the mechanistic reaction pathways at these conditions may not be well known. Molecular dynamics simulations based on reactive force fields can be used to gain insight into combustion under these conditions. However, for such molecular dynamics simulations to yield useful and trustworthy results, they must be able to simulate thermodynamic ensembles that are relevant to practical combustion, such as constant volume adiabatic reactors. They must also be able to reproduce known features from combustion simulations using continuum and statistical chemical kinetic models. These aspects can be verified for small molecular fuel systems, such as methane. In this work, the autoignition of methane-oxygen mixtures at pressures of 200 atm is simulated using non-equilibrium molecular dynamics with the ReaxFF force fields and the LAMMPS software package. To account for difficulties associated with maintaining the internal energy constant, a combination of NVT and NVE ensembles is used to capture the rapid temperature rise associated with autoignition. The evolution of key chemical species is examined and a characteristic ignition delay time is defined for each temperature. The results are contextualized by comparing them to the predictions of two continuum and statistical chemical kinetic models and the Chemkin Pro solver. ReaxFF simulations are found to reproduce the chemical structure of autoigniting reactors. The ignition delay times obtained from the ReaxFF are comparable to those obtained from continuum kinetic models, although the ReaxFF results are characterized by a higher global activation energy. With respect to the final products of the ignition process, ReaxFF predicts CO and OH levels that are comparable with continuum kinetic and equilibrium models. Generally, ReaxFF under predicts the formation of triatomic molecules. This study advances the use of molecular dynamics simulation to study standard combustion problems, such as constant-volume autoignition.</p></div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 11","pages":"662-673"},"PeriodicalIF":1.6,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145129221","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":"Ab Initio Study of the Gas- and Liquid-Phase Hydrogen Abstraction From Dimethyl-, Diethyl-, and Ethyl–Methyl Carbonates by \u0000 \u0000 \u0000 H\u0000 ̇\u0000 \u0000 ${dot{mathrm{H}}} $\u0000 and \u0000 \u0000 \u0000 C\u0000 ̇\u0000 \u0000 ${dot{mathrm{C}}} $\u0000 H3 and Subsequent Reactions","authors":"Marwa Saab,&nbsp;Yann Fenard,&nbsp;Guillaume Vanhove,&nbsp;Malte Döntgen,&nbsp;K. Alexander Heufer","doi":"10.1002/kin.70007","DOIUrl":"https://doi.org/10.1002/kin.70007","url":null,"abstract":"&lt;p&gt;Dimethyl-, diethyl, and ethyl–methyl carbonate are important components of lithium batteries. They are used as solvents and comprise the medium through which the lithium ions move between the anode and the cathode during charge and discharge. However, these species are susceptible to decomposition if thermal runaway occurs, forming flammable gases inside the battery, and eventually leading to mechanical failure and ignition with the surrounding air. These events have been reported and are extremely hazardous. To avoid these incidents, it is important to understand the reactivity of carbonates by building chemical kinetic mechanisms based on experimental testing and theoretical calculations. These models are also important when using these species in combustion as additives or replacements to fossil fuels. Because of their high oxygen content, researchers believe that including carbonates in combustion processes would decrease soot and particulate matter emissions. Existing models typically use estimated reaction rate parameters; thus, more accurate rate parameters would benefit existing and new models. In this study, the rate coefficients of H-atom abstraction reactions by &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mover&gt;\u0000 &lt;mi&gt;H&lt;/mi&gt;\u0000 &lt;mo&gt;̇&lt;/mo&gt;\u0000 &lt;/mover&gt;\u0000 &lt;annotation&gt;$dot {mathrm{H}} $&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; and &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mover&gt;\u0000 &lt;mi&gt;C&lt;/mi&gt;\u0000 &lt;mo&gt;̇&lt;/mo&gt;\u0000 &lt;/mover&gt;\u0000 &lt;annotation&gt;$dot{mathrm{C}} $&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; H&lt;sub&gt;3&lt;/sub&gt;, β-scission, isomerization, and internal radical migration reactions are computed from CCSD(T)/aug-cc-pV(D+T)Z//B3LYP-D3BJ/def2-TZVP calculations. Additionally, solvation effects have been investigated to allow for comparison between liquid and gas phase kinetics. Consistent with the literature, H-atom abstraction by &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mover&gt;\u0000 &lt;mi&gt;H&lt;/mi&gt;\u0000 &lt;mo&gt;̇&lt;/mo&gt;\u0000 &lt;/mover&gt;\u0000 &lt;annotation&gt;$dot {mathrm{H}} $&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; is found to be faster than that by &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mover&gt;\u0000 &lt;mi&gt;C&lt;/mi&gt;\u0000 &lt;mo&gt;̇&lt;/mo&gt;\u0000 &lt;/mover&gt;\u0000 &lt;annotation&gt;$dot{mathrm{C}} $&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; H&lt;sub&gt;3&lt;/sub&gt;. At the low-temperature end of the investigated range (300 K), available literature rate coefficients and the present rate coefficients are deviating up to three orders of magnitude. Notably, uncertainties in the imaginary frequency computation are found to contribute most to deviations between the present calculations and combined theoretical and experimental literature dat","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 11","pages":"652-661"},"PeriodicalIF":1.6,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/kin.70007","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145129193","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":"Navigating Imidacloprid Insecticide's Destiny: Sorption and Degradation Aspects in Varied Ecological Zones","authors":"Sara Majid,&nbsp;Khuram Shahzad Ahmad,&nbsp;Jehad S. Alhawadi,&nbsp;Ghulam Abbas Ashraf,&nbsp;Mohammad K. Okla","doi":"10.1002/kin.21786","DOIUrl":"https://doi.org/10.1002/kin.21786","url":null,"abstract":"<div>\u0000 \u0000 <p>Sorption profoundly influences the destiny and behavior of agrochemicals in soil and water. The goal of the current study is to use the batch equilibrium technique to examine the adsorption–desorption behavior of the neonicotinoid pesticide imidacloprid in 10 distinct types of Pakistani soils (Ss1–Ss10). Adsorption coefficients (<i>K_d</i>) and associated parameters were assessed using the batch equilibrium approach. The findings showed that the best fit to the experimental data was given by the Freundlich isotherm. In view of this, the Ss6 depicted the highest adsorption coefficient (<i>K_d</i>) value (13.30 µg/mL), followed by Ss7 and Ss8. The positive correlation between <i>K_d</i> and soil organic matter decided it as a major affecting parameter for high adsorption. Negative Gibbs free energy values exhibited the weaker physio-sorption between soil and imidacloprid molecules. Minimum half-lives recorded in photolytic and biodegradative experiments were 247 and 28 days, respectively showing the persisting nature of imidacloprid. Results indicated that imidacloprid had a moderate to strong binding to the chosen soils, resulting in increased persistence and less breakdown. Work currently being done can be expanded to further optimize these impermissible methods to provide workable solutions for cleaning up the environment using natural means.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 11","pages":"639-651"},"PeriodicalIF":1.6,"publicationDate":"2025-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145129173","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}