Reaction Kinetics, Mechanisms and Catalysis最新文献_第5页

Tetrahydroquinolines as inhibitors of radical chain oxidation of organic compounds: kinetics and mechanism of action 作为有机化合物自由基链氧化抑制剂的四氢喹啉：动力学和作用机理

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-07-06 DOI: 10.1007/s11144-024-02649-3

A. Ya. Gerchikov, I. V. Safarova, G. M. Shaymordanova, E. F. Safarov, R. G. Savchenko

{"title":"Tetrahydroquinolines as inhibitors of radical chain oxidation of organic compounds: kinetics and mechanism of action","authors":"A. Ya. Gerchikov, I. V. Safarova, G. M. Shaymordanova, E. F. Safarov, R. G. Savchenko","doi":"10.1007/s11144-024-02649-3","DOIUrl":"10.1007/s11144-024-02649-3","url":null,"abstract":"<div>The effectiveness and mechanism of the antioxidant action of a number of biologically active polysubstituted tetrahydroquinolines in a model reaction of liquid-phase oxidation of 1,4-dioxane have been studied. The research into the properties of these substances in the field of pharmacology is becoming increasingly important due to their ability to act as inhibitors of radical chain oxidation of organic compounds. The fact is that the manifestation of the antioxidant properties of biologically active compounds leads to an increase in the therapeutic effect of potential drugs. In this case, the drug, simultaneously with the function of treating the target disease, additionally slows down the rate of the undesirable process of lipid peroxidation of cell membranes. The oxidation reaction has been observed at 348 K using a manometric technique, measuring the change in the concentration of absorbed oxygen in the gas phase under different initial conditions of the studied antioxidants over time. In the presence of tetrahydroquinoline (THQ) additives, the kinetic curves of oxygen absorption exhibit an induction period (τ) when the rate of oxygen absorption is immeasurably low. The dependence of τ and the rate of inhibited oxidation on the concentration of THQ has been studied and the reaction mechanism formulated, including the stage of regeneration of the inhibitor at the stage of chain termination. Using the method of mathematical modeling, the adequacy of the mechanism to the obtained experimental data has been substantiated, the rate constants of the key stages and parameters of the efficiency of inhibitor f regeneration have been found. When comparing the results of this article with previously published data, it has been found that the mechanism and antioxidant efficiency of tetrahydroquinolines depend on their structure and the nature of the active site of inhibition.</div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141574604","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}

引用次数: 0

Simulating the coal tar hydrodeoxygenation reaction process based on three perspectives: deoxygenation, hydrogenation, and cracking 从脱氧、加氢和裂解三个角度模拟煤焦油加氢脱氧反应过程

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-07-02 DOI: 10.1007/s11144-024-02680-4

Menglong Niu, Lei Zhang, Yongge Xue, Ben Niu, Xiaohua Chai, Dong Li, Baoqi Ma

{"title":"Simulating the coal tar hydrodeoxygenation reaction process based on three perspectives: deoxygenation, hydrogenation, and cracking","authors":"Menglong Niu, Lei Zhang, Yongge Xue, Ben Niu, Xiaohua Chai, Dong Li, Baoqi Ma","doi":"10.1007/s11144-024-02680-4","DOIUrl":"10.1007/s11144-024-02680-4","url":null,"abstract":"<div>This paper presents a reaction kinetics model for analyzing the coal tar hydrodeoxygenation process from the perspectives of deoxygenation, hydrogenation, and cracking. The model is established based on the data from 24 sets of coal tar hydrotreatment experiments performed at different temperatures, pressures, and liquid hourly space velocity (LHSV) in a fixed-bed reactor. In the established model, the reaction kinetics equations, mass transport equations, and property calculation equations are coupled and solved simultaneously. This model can predict the distribution of H2 partial pressure, H2O partial pressure, and the concentrations of oxygen-containing compounds, aromatics, and cycloalkanes along the reactor axis, under different conditions (temperature, pressure, and space velocity). The validation experiments show that the model's prediction error for hydrodeoxygenation reaction product concentration is no more than 1.1%, for hydrogenation reaction product concentration is within 6.5%, and for cracking reaction product concentration is within 8.5%.</div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141531669","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}

引用次数: 0

Solar photocatalytic degradation of acetaminophen with TiO2 P25 immobilized on a glass plate by heat attachment method 用热附着法固定在玻璃板上的 TiO2 P25 太阳能光催化降解对乙酰氨基酚

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-07-01 DOI: 10.1007/s11144-024-02642-w

Idris Yahiaoui, Almudena Gómez-Avilés, Farida Aissani-Benissad, Jorge Bedia, Carolina Belver

{"title":"Solar photocatalytic degradation of acetaminophen with TiO2 P25 immobilized on a glass plate by heat attachment method","authors":"Idris Yahiaoui, Almudena Gómez-Avilés, Farida Aissani-Benissad, Jorge Bedia, Carolina Belver","doi":"10.1007/s11144-024-02642-w","DOIUrl":"10.1007/s11144-024-02642-w","url":null,"abstract":"<div>In this study, photocatalytic degradation of acetaminophen (ACE) in aqueous solutions under simulated solar light was studied using TiO2 P25 immobilized on a glass plate by heat attachment method. The major factors affecting the removal of ACE, namely the amount and layers of TiO2 P25 immobilized, flow rate (Qv) and initial ACE concentration, were analyzed. The structural features of the TiO2 P25 immobilized were investigated by X-ray diffraction (XRD) and scanning electron microscopy (SEM). TiO2 was successfully immobilized on the glass plate with the structure of anatase and rutile characteristic of the pattern unmodified TiO2 P25. SEM micrographs of surface coats of TiO2 P25 immobilized on glass plates revealed microfractures, which are probably due to the different thermal expansions among the different layers of TiO2 P25 induced by the subsequent thermal treatment. The adsorption in the dark of ACE on the immobilized P25 and direct photolysis of ACE were studied, being negligible in both cases. The optimal operating conditions were 5 mg L−1 of ACE, 0.28 g of TiO2 P25 immobilized and a Qv equal to 14 mL s−1. Under these optimal conditions, 100% removal of ACE was achieved after 3 h of reaction. Moreover, a pseudo-first order kinetic model represented well the experimental data. The immobilized TiO2 P25 was regenerated six times, with no noticeable loss of photoactivity, confirming the high stability achieved by the immobilization procedure, which makes this procedure promising for real applications.<h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141521198","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}

引用次数: 0

Adsorption study of methylene blue dye removal with activated carbon derived from Leucaena leucocephala wastes prepared via H3PO4 activation 用 H3PO4 活化制备的白千层垃圾衍生活性炭去除亚甲基蓝染料的吸附研究

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-07-01 DOI: 10.1007/s11144-024-02677-z

Nour EI Houda Laouar, Abdelhamid Boukerroui, Chafika Meziti, Sylia Azoug

{"title":"Adsorption study of methylene blue dye removal with activated carbon derived from Leucaena leucocephala wastes prepared via H3PO4 activation","authors":"Nour EI Houda Laouar, Abdelhamid Boukerroui, Chafika Meziti, Sylia Azoug","doi":"10.1007/s11144-024-02677-z","DOIUrl":"10.1007/s11144-024-02677-z","url":null,"abstract":"<div>This study aims to valorize agricultural waste of Leucaena leucocephala pods (LP) as a low-cost precursor for synthesizing high-performance activated carbon (LP-AC) for the removal of methylene blue dye (MB). Phosphoric acid H3PO4 was employed as a chemical activator of the LP biomass with a mass ratio of phosphoric acid to the precursor (3/1) before being calcined at 500 °C for 55 min. Box Benken design was investigated to optimize the experimental parameters of initial concentration, adsorbent dose, and pH. Variable optimization indicated that the highest removal efficiency of MB dye, estimated as 99.99%, was noticed at the initial concentration of 300.87 mg L−1, adsorbent dose of 0.049 g, and solution pH of 10.07. Isotherm study revealed that Temkin model shows the best agreement with the experimental data with a correlation coefficient of (R2 = 0.990). The adsorption capacity of MB dye was determined as 584.32 mg g−1. The kinetic study suggested that the pseudo-second-order model is the best-correlated model for data fitting with (R2 > 0.997). The thermodynamic analysis indicated an enthalpy change (ΔH) of − 18.50 kJ/mol, confirming that the adsorption of MB dye onto LP-AC material is an exothermic process. SEM characterization of the surface showed that the LP-AC exhibits a heterogeneous structure. The BET analysis revealed a remarkable surface area of 1367.30 m2 g−1 for the produced carbon, including a blend of mesoporous and microporous structures. Furthermore, complementary analyses including EDS, TGA, and FTIR confirmed the presence of crucial properties, underscoring its potential effectiveness as an adsorbent for removing MB dye.</div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141502500","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}

引用次数: 0

Preparation and characterization of potassium chloride from the roast-leaching treatment of a Nigerian quartz-rich muscovite ore 尼日利亚富含石英的麝香石矿经焙烧-浸出处理后氯化钾的制备和特性分析

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-06-28 DOI: 10.1007/s11144-024-02678-y

Ayo F. Balogun, Alafara A. Baba, Taiwo O. Ogundepo, Joel E. Akor

{"title":"Preparation and characterization of potassium chloride from the roast-leaching treatment of a Nigerian quartz-rich muscovite ore","authors":"Ayo F. Balogun, Alafara A. Baba, Taiwo O. Ogundepo, Joel E. Akor","doi":"10.1007/s11144-024-02678-y","DOIUrl":"10.1007/s11144-024-02678-y","url":null,"abstract":"<div>This study extracts potassium from quartz-rich muscovite ore via roast-leaching, employing CaCl2 derived from periwinkle shells as additives. Various analytical and spectral techniques, including XRD, XRF, and SEM, were utilized for characterization throughout the research. The impact of experimental parameters such as CaCl2 salt quantities, roasting temperature, leaching duration, and particle size on potassium extraction was thoroughly investigated. Under established conditions (ore to salts mass ratio of 1:5, temperature of 850 °C, particle size − 63 + 56 µm), 99.7% of the potassium was dissolved within 30 min. The roast-leaching process exhibited a reaction order of 1.178, and the estimated activation energy of 33.78 kJ/mol suggested a diffusion-controlled reaction through the product layer as the rate-limiting step for potassium extraction. The multiple regression analysis supports the data reported. To selectively recover potassium from the leach liquor, sodium perchlorate was introduced to precipitate potassium as KClO4, subsequently thermally decomposed to yield high-purity potassium chloride. This innovative approach demonstrates a sustainable and cost-effective method for potassium recovery from its ore.<h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141502503","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}

引用次数: 0

Effect of additive modification on the product distribution in CO hydrogenation catalyzed by Fe/g-C3N4 添加剂改性对 Fe/g-C3N4 催化 CO 加氢反应产物分布的影响

IF 1.8 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-06-27 DOI: 10.1007/s11144-024-02676-0

Bing Li, Xinhua Gao, Kangzhou Wang, Yaqin Xing, Caihu Li, Qingxiang Ma, Tian-sheng Zhao, Jianli Zhang

{"title":"Effect of additive modification on the product distribution in CO hydrogenation catalyzed by Fe/g-C3N4","authors":"Bing Li, Xinhua Gao, Kangzhou Wang, Yaqin Xing, Caihu Li, Qingxiang Ma, Tian-sheng Zhao, Jianli Zhang","doi":"10.1007/s11144-024-02676-0","DOIUrl":"https://doi.org/10.1007/s11144-024-02676-0","url":null,"abstract":"The melamine thermal shrinkage method was used to prepare carbon nitride (g-C3N4). Fe/g-C3N4 was obtained by impregnation, and Na, K, and Zn additives were added as modifiers. The CO hydrogenation performances of the catalysts were studied before and after modification. The effect of additive modification on the textural properties of the Fe/g-C3N4 catalyst and product distribution of CO hydrogenation was investigated by combining several characterization techniques such as N2 physical adsorption and desorption, XRD, SEM, TEM, FT-IR, TG, CO2-TPD, Raman, XPS, and contact angle (CA) experiments. The textural characteristics and performance of the catalyst were markedly affected by the additive modifications. Na and K modifications weakened the strong interactions between Fe and g-C3N4 and improved the activity of the catalyst; additionally, hydrophilicity was enhanced. The Zn modified catalyst Fe/g-C3N4-Zn exhibited a weaker water gas shift reaction activity, and a lower CO2 selectivity was obtained for CO hydrogenation. In the CO hydrogenation reaction, the Na-modified and K-modified catalysts, which exhibit enhanced surface alkalinity, inhibited secondary olefin hydrogenation and displayed high olefin selectivity and lower CH4 selectivity. Fe/g-C3N4-Na exhibited the highest olefin selectivity, with C2=–C4= up to 47.5%, and an O/P value of 5.1.<h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141521199","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}

引用次数: 0

Ultra-small Pt3Co intermetallic compounds: for efficient electrocatalytic methanol oxidation 超小型 Pt3Co 金属间化合物：用于高效电催化甲醇氧化

IF 1.8 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-06-27 DOI: 10.1007/s11144-024-02640-y

Yanru Li, Hongwei Li, Yan Zhao, Dong Ji, Guixian Li, Xinhong Zhao

{"title":"Ultra-small Pt3Co intermetallic compounds: for efficient electrocatalytic methanol oxidation","authors":"Yanru Li, Hongwei Li, Yan Zhao, Dong Ji, Guixian Li, Xinhong Zhao","doi":"10.1007/s11144-024-02640-y","DOIUrl":"https://doi.org/10.1007/s11144-024-02640-y","url":null,"abstract":"To alleviate the sluggish kinetics exhibited by anodic Pt-based catalysts in the methanol oxidation reaction (MOR), N-doped carbon nanotube (N-CNTs) supports with uniform anchoring sites were synthesized by calcination pyrolysis, which provided abundant anchoring sites for the subsequent deposition of Pt3Co. For the first time, small-sized and highly dispersed ordered Pt3Co intermetallic compounds with different sizes were synthesized by adjusting the hydrothermal reaction temperature employed in the low-temperature N-anchoring strategy. The microstructure and physicochemical properties of Pt3Co/N-CNTs with different Pt3Co sizes were analyzed by XRD, STEM, and AC-STEM, and their electrochemical performances were evaluated by a three-electrode system. The results demonstrated that the Pt3Co synthesized at 140 °C exhibited the superior MOR activity and stability. Specifically, its mass and area specific activities were 4905.3 mA mg−1Pt and 74.2 mA cm−1 surpassing those of commercial Pt/C (1089.5 mA mg−1Pt and 16.5 mA cm−1). Moreover, after 800 CV cycles, the current density still retained 78.9% of its initial MOR activity, thus demonstrating superior stability compared to commercial Pt/C (52.5%). The enhanced electrochemical performance of Pt3Co/N-CNTs-140 can be attributed to the smaller particles size (2.15 ± 0.03 nm) of Pt3Co, which maximizes the exposure of active site, resulting in a larger electrochemically active area and reduced activation energy for MOR. This effect not only enhances the noble metal utilization but also boosts electrocatalytic activity, thereby providing a new idea for designing robust MOR electrocatalysts with exceptional MOR activity and durability.","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141521200","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}

引用次数: 0

The kinetic and experimental study for the pyrolysis of hydrotreated and non-hydrotreated coking distillated fractions 加氢处理和非加氢处理焦化馏分热解的动力学和实验研究

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-06-26 DOI: 10.1007/s11144-024-02660-8

Raluca-Elena Dragomir

引用次数: 0

Hydrothermal synthesis of bismuth-doped tungsten trioxide (Bi-WO3) for photocatalytic hydrogen production application 用于光催化制氢的掺铋三氧化钨（Bi-WO3）的水热合成

IF 1.8 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-06-25 DOI: 10.1007/s11144-024-02679-x

Khursheed Ahmad, Dieudonne Tanue Nde, Rais Ahmad Khan

{"title":"Hydrothermal synthesis of bismuth-doped tungsten trioxide (Bi-WO3) for photocatalytic hydrogen production application","authors":"Khursheed Ahmad, Dieudonne Tanue Nde, Rais Ahmad Khan","doi":"10.1007/s11144-024-02679-x","DOIUrl":"https://doi.org/10.1007/s11144-024-02679-x","url":null,"abstract":"In this report, we proposed the hydrothermal synthesis of bismuth doped tungsten trioxide (Bi-WO3) for H2 evolution under visible light. The X-ray diffraction (XRD) study suggested the good phase purity and crystalline nature of the prepared Bi-WO3. The scanning electron microscope (SEM) revealed that Bi-WO3 are consists of plates like surface morphology. The ultraviolet–visible (UV–vis) spectroscopy showed that Bi-WO3 has band gap of 2.69 eV whereas pristine WO3 has 2.6 eV. It is confirmed that Bi-doping increases the optical band gap of the Bi-WO3. The Bi-WO3 (catalyst dose = 5 mg) showed H2 production rate of 104.2 µmol/g/h which is higher than that of pristine WO3 (73.6 µmol/g/h). Furthermore, Bi-WO3 (catalyst dose = 30 mg) showed improved H2 production rate of 334.7 µmol/g/h. The Bi-WO3 (30 mg) + 4 wt% Pt exhibited the highest H2 production rate of 637.8 µmol/g/h. It is believed that presence of Pt as cocatalyst boosted the H2 evolution rate. The synthesized photocatalyst also demonstrated good stability which suggested its reusability up to four cycles.","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141521212","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}

引用次数: 0

Correction: Tungsten-doped MoS2-based nanostructure for photocatalytic hydrogen evolution under visible light 更正：基于掺钨 MoS2 的纳米结构在可见光下光催化氢气进化

IF 1.7 4区化学

Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-06-24 DOI: 10.1007/s11144-024-02674-2

Khursheed Ahmad, Waseem Raza, Mohd Quasim Khan, Rais Ahmad Khan

引用次数: 0