Progress in Reaction Kinetics and Mechanism最新文献_第2页

Co-combustion performance analysis of a Fujian anthracite with Cunninghamia lanceolate and Mycorrhizal plants 福建一种无烟煤与杉木、菌根植物共燃性能分析

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2021-01-01 DOI: 10.1177/14686783211010966

Zheng Zou, Yangui Chen, Jieqing Zheng, Xiao-dong Zhang, Hongzhou He

{"title":"Co-combustion performance analysis of a Fujian anthracite with Cunninghamia lanceolate and Mycorrhizal plants","authors":"Zheng Zou, Yangui Chen, Jieqing Zheng, Xiao-dong Zhang, Hongzhou He","doi":"10.1177/14686783211010966","DOIUrl":"https://doi.org/10.1177/14686783211010966","url":null,"abstract":"The co-combustion characteristics of Fujian anthracite with two biomasses (i.e. Cunninghamia lanceolata) and Mycorrhizal plants in different proportions were investigated using thermogravimetric analysis. The result showed that first, the co-combustion processes of Fujian anthracite with the two biomasses (Cunninghamia lanceolata and Mycorrhizal plants) proceeded in three stages, separation and combustion of volatiles, combustion of fixed carbon in the biomass, and combustion of fixed carbon in Fujian anthracite. Secondly with increasing proportion of biomass, the co-combustion of Fujian anthracite with Cunninghamia lanceolata and Mycorrhizal plants shifted to a low-temperature zone, with a lower ignition temperature, shortened burnout time, and growth of both combustibility index (Ci) and comprehensive combustion index S. Finally, at different mixing proportions, the comprehensive combustion index S during co-combustion of FW with Mycorrhizal plants is always larger than that during co-combustion with Cunninghamia lanceolata; therefore, FW and Mycorrhizal plants exhibit superior comprehensive co-combustion performance to FW and Cunninghamia lanceolata. Analysis of various parameters pertaining to combustion performance shows that the ignition and combustion performance of Fujian anthracite was improved as long as the Fujian anthracite was mixed with around 20% biomass.","PeriodicalId":20859,"journal":{"name":"Progress in Reaction Kinetics and Mechanism","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76810495","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: 1

A new Bi(III)-based coordination complex: Treatment and nursing application values on pediatric pneumonia 基于Bi(III)的新型协同复合体:小儿肺炎的治疗与护理应用价值

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2021-01-01 DOI: 10.1177/14686783211045834

Jianli Lu, H. Han, Bo Li, Yanjun Han

{"title":"A new Bi(III)-based coordination complex: Treatment and nursing application values on pediatric pneumonia","authors":"Jianli Lu, H. Han, Bo Li, Yanjun Han","doi":"10.1177/14686783211045834","DOIUrl":"https://doi.org/10.1177/14686783211045834","url":null,"abstract":"In the current work, through applying the mixed-ligand generation method, [Bi4Cl8(PDC)2 (2,2′-bpy)4]·2MeCN (1), a fresh bismuth (III)-organic compound synthesized with the solvothermal reactions between 2,2′-bipyridine (2,2′-bpy); 2,6-pyridinedicarboxylic acid (H2PDC); and bismuth chloride. The structural characterization results show that complex 1 features a binuclear discrete structure which is further extended into a 1D chain–like supramolecular network via π–π interactions. Furthermore, the compound’s treatment and nursing application values on pediatric pneumonia was explored and the novel compound’s corresponding mechanism was also investigated. First of all, in our research, the enzyme-linked immunosorbent assay (ELISA) detection kit was employed for the determination of the inflammatory cytokines content released into alveolar lavage fluid. Subsequently, the adenosine 5‘-monophosphate (AMP)–activated protein kinase (AMPK) signaling pathway activation in alveolar epithelial cells was explored exploiting the real-time reverse transcription–polymerase chain reaction (RT-PCR). Molecular docking demonstrated that although multiple pyridine rings are presented in the Bi complex, however, only the carboxylate groups have been observed to interact with the active residues.","PeriodicalId":20859,"journal":{"name":"Progress in Reaction Kinetics and Mechanism","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79375987","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

Application of the global search algorithm to analyze the kinetic mechanism of the thermal decomposition of flexible polyurethane foam 应用全局搜索算法分析柔性聚氨酯泡沫塑料热分解的动力学机理

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2021-01-01 DOI: 10.1177/1468678320982185

Yangui Chen, Hongzhou He, Zhongqing Liu

{"title":"Application of the global search algorithm to analyze the kinetic mechanism of the thermal decomposition of flexible polyurethane foam","authors":"Yangui Chen, Hongzhou He, Zhongqing Liu","doi":"10.1177/1468678320982185","DOIUrl":"https://doi.org/10.1177/1468678320982185","url":null,"abstract":"Accurate thermal decomposition mechanism and kinetic parameters are helpful to analyze the combustion process of flexible polyurethane foam. The thermal decomposition process of flexible polyurethane foam products (amine derivatives) was ignored in the past. Three thermal decomposition mechanisms of flexible polyurethane foam were proposed according to the thermogravimetry experiment of flexible polyurethane foam in the nitrogen atmosphere, two of which included the thermal decomposition of amine derivatives. The global search algorithm was proposed to estimate the kinetic parameters of the thermal decomposition of solid material. The results show that the global search algorithm is efficient and accurate in estimating kinetic parameters. The results also show the thermal decomposition mechanism including the carbodiimide and polycarbondiimide can well describe the thermal decomposition process of flexible polyurethane foam and amine derivatives. The activation energy, pre-exponential factor, and reaction order of flexible polyurethane foam are 187.3 kJ mol−1, 1015.6 s−1, and 1.22, respectively.","PeriodicalId":20859,"journal":{"name":"Progress in Reaction Kinetics and Mechanism","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86630042","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: 5

Reaction Kinetics: An Introduction 反应动力学:介绍

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2021-01-01 DOI: 10.1007/978-3-030-68574-4

E. Keszei

引用次数: 1

A density functional theory study on the mechanism of the allylpalladium-catalyzed dehydrogenation of aldehydes and cyclic ketones 烯丙基钯催化醛和环酮脱氢反应机理的密度泛函理论研究

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2021-01-01 DOI: 10.1177/14686783211020600

Anan Haj Ichia Arisha

引用次数: 0

Understanding the reaction mechanism of the regioselective piperidinolysis of aryl 1-(2,4-dinitronaphthyl) ethers in DMSO: Kinetic and DFT studies 二甲基亚砜中芳基1-(2,4-二硝基萘)醚的区域选择性胡椒醇分解反应机理:动力学和DFT研究

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2021-01-01 DOI: 10.1177/14686783211027446

Yasmen M. Moghazy, Nagwa MM Hamada, M. F. Fathalla, Yasser R. Elmarassi, Ezzat A. Hamed, Mohamed A. El-Atawy

{"title":"Understanding the reaction mechanism of the regioselective piperidinolysis of aryl 1-(2,4-dinitronaphthyl) ethers in DMSO: Kinetic and DFT studies","authors":"Yasmen M. Moghazy, Nagwa MM Hamada, M. F. Fathalla, Yasser R. Elmarassi, Ezzat A. Hamed, Mohamed A. El-Atawy","doi":"10.1177/14686783211027446","DOIUrl":"https://doi.org/10.1177/14686783211027446","url":null,"abstract":"Reactions of aryl 1-(2,4-dinitronaphthyl) ethers with piperidine in dimethyl sulfoxide at 25oC resulted in substitution of the aryloxy group at the ipso carbon atom. The reaction was measured spectrophotochemically and the kinetic studies suggested that the titled reaction is accurately third order. The mechanism is began by fast nucleophilic attack of piperidine on C1 to form zwitterion intermediate (I) followed by deprotonation of zwitterion intermediate (I) to the Meisenheimer ion (II) in a slow step, that is, SB catalysis. The regular variation of activation parameters suggested that the reaction proceeded through a common mechanism. The Hammett equation using reaction constant σo values and Brønsted coefficient value showed that the reaction is poorly dependent on aryloxy substituent and the reaction was significantly associative and Meisenheimer intermediate-like. The mechanism of piperidinolysis has been theoretically investigated using density functional theory method using B3LYP/6-311G(d,p) computational level. The combination between experimental and computational studies predicts what mechanism is followed either through uncatalyzed or catalyzed reaction pathways, that is, SB and SB-GA. The global parameters of the reactants, the proposed activated complexes, and the local Fukui function analysis explained that C1 carbon atom is the most electrophilic center of ether. Also, kinetics and theoretical calculation of activation energies indicated that the mechanism of the piperidinolysis passed through a two-step mechanism and the proton transfer process was the rate determining step.","PeriodicalId":20859,"journal":{"name":"Progress in Reaction Kinetics and Mechanism","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86633511","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

Theoretical study on the reaction between silacyclopropenylidene and three-membered heterocyclic compounds (azirane and oxirane): An alternative approach to the formation of heterocyclic silylene 硅环丙烯与三元杂环化合物(氮烷和氧烷)反应的理论研究:形成杂环硅烯的另一种方法

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2020-06-01 DOI: 10.1177/1468678320902059

Xiaojun Tan, Mengyao Wu, Yilin Wang, Guizhi Shi, Jinsong Gu

{"title":"Theoretical study on the reaction between silacyclopropenylidene and three-membered heterocyclic compounds (azirane and oxirane): An alternative approach to the formation of heterocyclic silylene","authors":"Xiaojun Tan, Mengyao Wu, Yilin Wang, Guizhi Shi, Jinsong Gu","doi":"10.1177/1468678320902059","DOIUrl":"https://doi.org/10.1177/1468678320902059","url":null,"abstract":"The reaction mechanism between silacyclopropenylidene and three-membered heterocyclic compounds (azirane and oxirane) has been systematically investigated at the B3LYP/6-311+G* level of theory in order to better understand the reactivity of unsaturated cyclic silylene. Geometry optimizations and vibrational analyses have been conducted for the stationary points on the potential energy surface of the system. Calculations show that the Si-spiroheterocyclic intermediate and four-membered heterocyclic silylene compound could be produced through the insertion process and subsequent dissociation process between silacyclopropenylidene and three-membered heterocyclic compounds. For the insertion process, it is easier for silacyclopropenylidene to insert into C-N bond of azirane than into C-O bond of oxirane. This study is helpful to understand the reactivity of silacyclopropenylidene, the evolution of silicon-bearing molecules in space, and to offer an alternative approach to the formation of enlarged heterocyclic silylene compound.","PeriodicalId":20859,"journal":{"name":"Progress in Reaction Kinetics and Mechanism","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2020-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84546685","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

Study on the preparation of amine-modified silicate MCM-41 adsorbent and its H2S removal performance 胺改性硅酸盐MCM-41吸附剂的制备及其去除H2S性能研究

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2020-05-01 DOI: 10.1177/1468678319825900

J. Zhang, Hua Song, Yanguang Chen, Tianzhen Hao, Feng Li, Dan-dan Yuan, Xueqin Wang, Liang Zhao, Jinsen Gao

{"title":"Study on the preparation of amine-modified silicate MCM-41 adsorbent and its H2S removal performance","authors":"J. Zhang, Hua Song, Yanguang Chen, Tianzhen Hao, Feng Li, Dan-dan Yuan, Xueqin Wang, Liang Zhao, Jinsen Gao","doi":"10.1177/1468678319825900","DOIUrl":"https://doi.org/10.1177/1468678319825900","url":null,"abstract":"A series of APTMS ((3-aminopropyl)trimethoxysilane)-modified silicate MCM-41 adsorbents (x-APTMS/MCM-41, x is the volume of APTMS per 1 g of silicate MCM-41) with different APTMS contents was prepared, and the effects of APTMS content on the desulfurization performance of the APTMS/MCM-41 adsorbents were studied in a fixed adsorption bed using H2S and N2 mixture as a model gas. The as-prepared adsorbents were characterized by X-ray diffraction analysis, N2 adsorption–desorption, Fourier transform infrared spectroscopy, transmission electron microscopy, scanning electron microscopy, and energy-dispersive spectroscopy. The results showed that all the APTMS-modified x-APTMS/MCM-41 adsorbents retained the mesoporous silica structure of MCM-41. The Brunauer–Emmett–Teller-specific surface area of x-APTMS/MCM-41 increased slightly with increasing x at first and then decreased with further increasing APTMS content. The H2S removal performances of x-APTMS/MCM-41 adsorbents decreased in the order 0.6-APTMS/MCM-41 > 0.7-APTMS/MCM-41 > 0.5-APTMS/MCM-41 > 0.4-APTMS/MCM-41 > 0.8-APTMS/MCM-41. At x = 0.6, the maximum H2S removal rate of 54.2% and H2S saturated capacity of 134.4 mg g−1 were observed. The regeneration experiment of 0.6-APTMS/MCM-41 adsorbent after three times regeneration at 423 K for 3 h in nitrogen confirmed that it possessed a good regenerability.","PeriodicalId":20859,"journal":{"name":"Progress in Reaction Kinetics and Mechanism","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2020-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87873460","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: 3

An electron localization function analysis of the molecular mechanism and the C–O bond formation in the [3+2] cycloaddition reaction involving zwitterionic type between a nitrone and an electron deficient ethyne [3+2]环加成反应中氮酮和缺电子乙烷的分子机理和C-O键形成的电子定位函数分析

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2020-05-01 DOI: 10.1177/1468678319825742

Abdelilah Benallou, Habib El Alaoui El Abdallaoui, H. Garmes

引用次数: 0

Proton transfer reaction confined within carbon nanotubes: Density functional theory and quantitative structure–property relationship analysis 碳纳米管内质子转移反应:密度泛函理论与定量构效关系分析

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2020-05-01 DOI: 10.1177/1468678319864473

Bilal Achouri, Y. Belmiloud, M. Brahimi

引用次数: 0