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Search results for: reaction kinetics
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Reaction Kinetics Mechanisms and Catalysis
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REACTION KINETICS AND CATALYSIS LETTERS
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PROGRESS IN REACTION KINETICS AND MECHANISM
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Properties of a lithium solid electrolyte gas sensor based on reaction kinetics
PublicationW artykule przedstawiono zasadę działania, budowę i właściwości czujnika gazu na bazie elektrolitu stałego z mobilnymi jonami litu. Czujnik został przygotowany w technologii grubowarstwowej. Przedstawiono wyniki badań czujnika w mieszaninach gazów toksycznych.
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Kinetics of the crosslinking reaction between genipin and chitosan solutions
PublicationThe kinetics of the chitosan crosslinking reaction with genipin was examined. The strong relationship was found between crosslinking agent concentration, chitosan concentration, temperature and gelling time. Data obtained will be used in the proper selection of optimal genipin concentration for crosslinking chitosan solutions.
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Bifunctional sulfur-silicon podands as new nucleophilic ionophores in acyl transfer reactions. Influence of monovalent cations on the reaction kinetics
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Reaction of 4-benzylidene-2-methyl-5-oxazolone with amines, Part 2: Influence of substituents in para-position in the phenyl ring and a substituent on amine nitrogen atom on the reaction kinetics
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Kinetics of Cross-Linking Reaction of Epoxy Resin with Hydroxyapatite-Functionalized Layered Double Hydroxides
PublicationThe cure kinetics analysis of thermoset polymer composites gives useful information about their properties. In this work, two types of layered double hydroxide (LDH) consisting of Mg2+ and Zn2+ as divalent metal ions and CO32− as an anion intercalating agent were synthesized and functionalized with hydroxyapatite (HA) to make a potential thermal resistant nanocomposite. The curing potential of the synthesized nanoplatelets in the...
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The kinetics of substitution reaction of oxydiacetate and thiodiacetate copper(II) complexes with 1,10-phenanthroline and 2,2’-bipyridine
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Kinetics and thermodynamics of the reaction of iminodiacetate copper(II) complexes with 1,10-phenanthroline and 2,2′-bipyridine in aqueous, anionic, cationic and nonionic surfactants solutions
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Chemical investigation on the mechanism and kinetics of the atmospheric degradation reaction of Trichlorofluoroethene by OH⋅ and Its subsequent fate in the presence of O2/NOx
PublicationThe M06-2X/6-311++G(d,p) level of theory was used to examine the degradation of Trichlorofluoroethene (TCFE) initiated by OH⋅ radicals. Additionally, the coupled-cluster single-double with triple perturbative [CCSD(T)] method was employed to refine the single-point energies using the complete basis set extrapolation approach. The results indicated that OH-addition is the dominant pathway. OH⋅ adds to both the C1 and C2 carbons,...
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In-situ FTIR study of reaction mechanism and chemical kinetics of a Xundian lignite during non-isothermal low temperature pyrolysis
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The reaction of substituted N-phenacyl-pyridinium bromides in the pyridine ring with DABCO and DBU in water and DMSO. Kinetics and DFT studies
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Poly(amic acid)s vs. polyimides with π-conjugated –N N- units: Cis-trans isomerization reaction and kinetics of thermal imidization
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Kinetics of aquation of Ni(II) oxydiacetate complex induced by Fe(III) ions
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Catalytic aldol condensation of formaldehyde with acetic acid on titanium phosphates modified by different techniques
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Influence of TiO2 hydrophilicity on the photocatalytic decomposition of gaseous acetaldehyde in a circulated flow reactor
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The isomerization of α-pinene over the Ti-SBA-15 catalyst—the influence of catalyst content and temperature
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Clinoptilolite as a natural, active zeolite catalyst for the chemical transformations of geraniol
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An experimental and theoretical study of the hetero Diels–Alder reactions between (E)-2-aryl-1-cyano-1-nitroethenes and ethyl vinyl ether: one-step or zwitterionic, two-step mechanism?
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Victor Eremeev prof. dr hab.
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Kinetics of nitrogen removal processes in constructed wetlands
PublicationThe aim of this paper is to present a state-of-the-art review of the kinetics of nitrogen removal in constructed wetlands. Biological processes of nitrogen removal from wastewater can be described using equations and kinetic models. Hence, these kinetic models which have been developed and evaluated allow for predicting the removal of nitrogen in treatment wetlands. One of the most important, first order removal model, which is...
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Kinetics study of the fully bio-based poly(propylene succinate) synthesis. Functional group approach
PublicationCurrently, the increasing importance of the bio-based chemical compounds development is visible in the polymer chemistry, chemical engineering and materials science. It is well-known that the various purity level and different contaminants characterize petrochemical-based compounds compared to their biobased counterparts. Therefore, it is necessary to find out the contaminants impact on the bio-based monomers synthesis. One of...
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A study of the kinetics of bismuth telluride synthesis by an oxide reduction method
PublicationThe kinetics of a reduction of bismuth and tellurium oxides in a hydrogen atmosphere, leading to the formation of thermoelectric bismuth telluride is investigated. The evaluation of the reaction kinetics was based on a thermogravimetric analysis performed in non-isothermal conditions. A non-parametric analysis method and the Friedman method were used for the evaluation of the data. Additionally, for a better understanding of the...
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Thermal-Resistant Polyurethane/Nanoclay Powder Coatings: Degradation Kinetics Study
PublicationIn the present study, thermal degradation kinetics of polyurethane (PU) powder coatings reinforced with organo-modified montmorillonite (OMMT) was investigated. PU nanocomposites were prepared in different concentrations of 1, 3, and 5 wt.% of OMMT via the extrusion method. The microstructure of the nanocomposites was observed by scanning electron microscope (SEM) illustrating uniform dispersion of OMMT nano-clay platelets in the...
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In-Out Surface Modification of Halloysite Nanotubes (HNTs) for Excellent Cure of Epoxy: Chemistry and Kinetics Modeling
PublicationIn-out surface modification of halloysite nanotubes (HNTs) has been successfully performed by taking advantage of 8-hydroxyquinolines in the lumen of HNTs and precisely synthesized aniline oligomers (AO) of different lengths (tri- and pentamer) anchored on the external surface of the HNTs. Several analyses, including FTIR, H-NMR, TGA, UV-visible spectroscopy, and SEM, were used to establish the nature of the HNTs’ surface engineering....
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Kinetics of cross-linking processes of fast-curing polyurethane system
PublicationThis work focuses on the application of thermal analysis and kinetics investigations to analyze chemical processes during cross-linking of the complex fast-curing polyurethane system. Non-isothermal Differential Scanning Calorimetry (DSC) measurements were performed for both stoichiometric mixtures of polyol and isocyanate component and for mixture with large isocyanate excess. Isoconversional methods were used to calculate initial...
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Isothermal Vulcanization and Non-Isothermal Degradation Kinetics of XNBR/Epoxy/XNBR-g-Halloysite Nanotubes (HNT) Nanocomposites
PublicationThe effect of several concentrations of carboxylated nitrile butadiene rubber (XNBR) functionalized halloysite nanotubes (XHNTs) on the vulcanization and degradation kinetics of XNBR/epoxy compounds were evaluated using experimental and theoretical methods. The isothermal vulcanization kinetics were studied at various temperatures by rheometry and differential scanning calorimetry (DSC). The results obtained indicated that the...
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Agata Kot-Wasik prof. dr hab. inż.
PeopleAgata Kot-Wasik, born in 1964 in Siedlce, graduated in 1988 from the Faculty of Chemistry, Gdańsk University of Technology in Industrial and Technical Analysis. In 1988-1992 she was employed in the Department of Organic Chemistry. In 1990, she completed postgraduate studies "Instrumental techniques in the traces analysis and Environmental Protection" at GUT, and in 1992 began PhD Studies at the Faculty of Chemistry, GUT, which...
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Electrochemical measurements of borophene functionalized with nickel(II) oxide (NiO)
Open Research DataThis dataset contains linear sweep voltammetry (LSV) and chronopotentiometry (CP) technique results for borophene functionalized with nickel(II) oxide (NiO) and reference samples: ruthenium(IV) oxide (RuO2), nickel(II) oxide (NiO) and pristine borophene. Linear sweep voltammetry (LSV) results show the oxygen evolution reaction permormance of the obtained...
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Cure kinetics of epoxy/MWCNTs nanocomposites: Isothermal calorimetric and rheological analyses
PublicationA combinatorial route has been applied in cure kinetics study of epoxy nanocomposites containing multi-walled carbon nanotubes (MWCNTs) based on differential scanning calorimetry and rheokinetic analyses under isothermal conditions. Pristine and amine-modified MWCNTs bearing primary and secondary amines were used at very low concentrations (0.1 and 0.3 wt.% based on epoxy weight). Model-free and model-fitting methods were applied...
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Epoxy/Ionic Liquid-Modified Mica Nanocomposites: Network Formation–Network Degradation Correlation
PublicationWe synthesized pristine mica (Mica) and N-octadecyl-N’-octadecyl imidazolium iodide (IM) modified mica (Mica-IM), characterized it, and applied it at 0.1–5.0 wt.% loading to prepare epoxy nanocomposites. Dynamic differential scanning calorimetry (DSC) was carried out for the analysis of the cure potential and kinetics of epoxy/Mica and epoxy/Mica-IM curing reaction with amine curing agents at low loading of 0.1 wt.% to avoid particle...
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Synergistic effects of nitrogen-doped carbon and praseodymium oxide in electrochemical water splitting
PublicationHybrid materials featuring perovskite-type metal oxide in conjunction with heteroatom-doped graphene hold immense promise as alternatives to costly noble metal catalysts for electrochemical water splitting, facilitating the generation of environmentally friendly hydrogen. In this study, perovskite-type oxide containing praseodymium, barium, strontium, cobalt, and iron atoms dispersed in a carbon matrix as a catalyst is synthesized...
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Release Kinetics Studies of Early-Stage Volatile Secondary Oxidation Products of Rapeseed Oil Emitted during the Deep-Frying Process
PublicationThe research concerns the use of proton transfer reaction mass spectrometer to track real-time emissions of volatile secondary oxidation products released from rapeseed oil as a result of deep-frying of potato cubes. Therefore, it was possible to observe a sudden increase of volatile organic compound (VOC) emissions caused by immersion of the food, accompanied by a sudden release of steam from a potato cube and a decrease of the...
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Salt melt synthesis of curved nitrogen-doped carbon nanostructures: ORR kinetics boost
PublicationImplementing metal-free electrocatalysts for the oxygen reduction reaction (ORR) and revealing crucial chemical or topographical parameters driving their activity are vital for the development of power cells. The carbon-based catalysts are very often synthesized through carbonization of biopolymers, in particular, those one containing nitrogen groups such as chitosan. Unfortunately, the resulting carbonaceous materials usually...
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Transparent nanocomposite coatings based on epoxy and layered double hydroxide: Nonisothermal cure kinetics and viscoelastic behavior assessments
PublicationLayered double hydroxide (LDH) has a particular place in clay family because of its flame retardant action. The nanoplatelet-like structure of LDH makes possible development of polymer composites with cationic or anionic nature structures in which macromolecules are positioned in between nanoplatelet galleries. In this work, neat epoxy and its transparent nanocomposite coatings with sodium dodecylbenzene sulfonate (SDBS)-modified...
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Effect of Surface Treatment of Halloysite Nanotubes (HNTs) on the Kinetics of Epoxy Resin Cure with Amines
PublicationThe epoxy/clay nanocomposites have been extensively considered over years because of their low cost and excellent performance. Halloysite nanotubes (HNTs) are unique 1D natural nanofillers with a hollow tubular shape and high aspect ratio. To tackle poor dispersion of the pristine halloysite (P-HNT) in the epoxy matrix, alkali surface-treated HNT (A-HNT) and epoxy silane functionalized HNT (F-HNT) were developed and cured with...
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Thermally activated persulfate-based Advanced Oxidation Processes — recent progress and challenges in mineralization of persistent organic chemicals: a review
PublicationThermally activated persulfate (TAP) finds application in Advanced Oxidation Processes for the removal of pollutants from contaminated water and soil. This paper reviewed the various cases of TAP in the environmental remediation. The pollutants such as individual pharmaceuticals, biocides, cyclic organic compounds, and dyes are considered in this review. It is interesting to note that most of the organic compounds undergo complete...
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Multi-pathway mechanism of polydopamine film formation at vertically aligned diamondised boron-doped carbon nanowalls
PublicationBoron-doped carbon nanowall (B:CNW) electrodes were used as a platform for studying the electropolymerisation of dopamine. Due to the unique properties of B:CNW, including the fast charge-transfer kinetics and high surface conductivity, a high degree of reversibility of redox reactions was achieved. Three separated redox peaks were observed on voltammograms and attributed to three fundamental reactions in the dopamine polymerisation...
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Kinetics of pollutants removal in vertical and horizontal flow constructed wetlands in temperate climate
PublicationThis paper reports a comparative study on kinetics of organic matter expressed as BOD5 and nitrogen removal in constructed wetlands operated in Poland. Analyzed data were collected at eight wetland systems, composed of subsurface flow beds: horizontal flow (HF) and vertical flow (VF), in different number and sequences. The analysis involved particularly mass removal rates (MRR) and first-order removal rate coefficients of BOD5...
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Sonocatalytic degradation of Bisphenol A from aquatic matrices over Pd/CeO2 nanoparticles: Kinetics study, transformation products, and toxicity
PublicationIn this work, different ratios of palladium – cerium oxide (Pd/CeO2) catalyst were synthesized and characterized, while their sonocatalytic activity was evaluated for the degradation of the xenobiotic Bisphenol A (BPA) from aqueous solutions. Sonocatalytic activity expressed as BPA decomposition exhibited a volcano-type behavior in relation to the Pd loading, and the 0.25Pd/CeO2 catalyst characterized by the maximum Pd dispersion...
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Combination of hydrodynamic cavitation and SR-AOPs for simultaneous degradation of BTEX in water
PublicationHydrodynamic cavitation (HC) is an emerging technology gaining interest in water treatment for use in elimination of a wide range of organic pollutants. The energy released during cavitation phenomenon has number of applications and, particularly, it can be utilized for activation of persulfate (PS) and peroxymonosulfate (PMS). In the present study, hybrid techniques: HC combined with persulfates – HC-PS and HC-PMS were tested...
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The Sonocatalytic Activation of Persulfates on Iron Nanoparticle Decorated Zeolite for the Degradation of 1,4-Dioxane in Aquatic Environments
PublicationIn the chemical industry, 1,4-diethylene dioxide, commonly called dioxane, is widely used as a solvent as well as a stabilizing agent for chlorinated solvents. Due to its high miscibility, dioxane is a ubiquitous water contaminant. This study investigates the effectiveness of catalyst- and ultrasound (US)-assisted persulfate (PS) activation with regard to degrading dioxane. As a first step, a composite catalyst was prepared using...
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One-Step Synthesis of W/O and O/W Emulsifiers in the Presence of Surface Active Agents
PublicationThe main goal of this study was to describe the method of the synthesis of the dodecyl-, tetradecyl-, hexadecyl- and octadecyl-propylene glycol emulsifiers in the presence of selected anionic and nonionic surfactants. Acyl propylene glycol emulsifiers were produced by esterification of propane-1,2-diol (propylene glycol, PG) with C12:0-C18:0 fatty acids in the presence of anionic sodium dodecyl sulfate (SDS) and nonionic-poly(ethylene...
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Photoresponsive Amide-Based Derivatives of Azobenzene-4,4′-Dicarboxylic Acid—Experimental and Theoretical Studies
PublicationAzobenzene derivatives are one of the most important molecular switches for biological and material science applications. Although these systems represent a well-known group of compounds, there remains a need to identify the factors influencing their photochemical properties in order to design azobenzene-based technologies in a rational way. In this contribution, we describe the synthesis and characterization of two novel amides...
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Electrocatalytic performance of oxygen-activated carbon fibre felt anodes mediating degradation mechanism of acetaminophen in aqueous environments
PublicationCarbon felts are flexible and scalable, have high specific areas, and are highly conductive materials that fit the requirements for both anodes and cathodes in advanced electrocatalytic processes. Advanced oxidative modi- fication processes (thermal, chemical, and plasma-chemical) were applied to carbon felt anodes to enhance their efficiency towards electro-oxidation. The modification of the porous anodes results in increased...
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Thermally activated natural chalcopyrite for Fenton-like degradation of Rhodamine B: Catalyst characterization, performance evaluation, and catalytic mechanism
PublicationIn this work, catalytic activity of natural chalcopyrite (CuFeS2) was improved by thermal activation. The modified chalcopyrite was used as efficient catalyst for degradation of organic dye Rhodamine B (RhB) through advanced oxidation process (AOP). Effects of catalyst dosage, H2O2 concentration, reaction temperature, solution pH, anions, and natural organic matter on the degradation efficiency of RhB were investigated. This study...
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The Metal-Free Regioselective Deuteration of 2-Methylquinolin-8-ol and 2,5-Dimethylquinolin-8-ol, Spectroscopic and Computational Studies
PublicationAbstract: Aim and Background: Introducing deuterium to a molecule is of interest to a wide variety of research, including investigation of reaction mechanisms or kinetics, analysis of drug metabolism, structural elucidation of molecules, and syntheses of isotopically labeled materials used for NMR spectroscopy and medicinal research. Objective: The transition-metal-free regioselective deuteration of 2-methylquinolin-8-ol...
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Bio‑derived polyurethanes obtained by non‑isocyanate route using polyol‑based bis(cyclic carbonate)s—studies on thermal decomposition behavior
PublicationNon-isocyanate polyurethanes (NIPUs) constitute one of the most prospective groups of eco-friendly materials based on their phosgene-free synthesis pathway. Moreover, one of the steps of their obtaining includes the use of carbon dioxide (CO 2 ), which allows for the promotion of the development of carbon dioxide capture and storage technologies. In this work, non- isocyanate polyurethanes were obtained via three-step synthesis...
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Dominant Pathways of Adenosyl Radical-Induced DNA Damage Revealed by QM/MM Metadynamics
PublicationBrominated nucleobases sensitize double stranded DNA to hydrated electrons, one of the dominant genotoxic species produced in hypoxic cancer cells during radiotherapy. Such radiosensitizers can therefore be administered locally to enhance treatment efficiency within the solid tumor while protecting the neighboring tissue. When a solvated electron attaches to 8-bromoadenosine, a potential sensitizer, the dissociation of bromide...