Search results for: PROCESS KINETICS
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Kinetics of Flavoenzyme-Catalyzed Reduction of Tirapazamine Derivatives: Implications for Their Prooxidant Cytotoxicity
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Kinetics of aquation of [Co(ODA)(H2O)3] induced by Fe(III)
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Novel investigation of pyrolysis mechanisms and kinetics for functional groups in biomass matrix
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Nanocomposite of cement/graphene oxide – Impact on hydration kinetics and Young’s modulus
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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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Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals
PublicationGlobal reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants. Ten oxidation pathways have been investigated, and all of them are exothermic. The potential energy diagram has been sketched using different pre- and post-reactive complexes for all reaction pathways. Rate coefficient...
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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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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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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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Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive
PublicationThe thermo-kinetic aspects of 3-hydroxybutyric acid (3-HBA) pyrolysis in the gas phase were investigated using density functional theory (DFT), specifically the M06-2X theoretical level in conjunction with the cc-pVTZ basis set. The obtained data were compared with benchmark CBS-QB3 results. The degradation mechanism was divided into 16 pathways, comprising 6 complex fissions and 10 barrierless reactions. Energy profiles were calculated...
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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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The effect of slowly biodegradable substrate on the kinetics of biochemical processes in activated sludge bioreactors
PublicationCelem niniejszej rozprawy doktorskiej było określenie wpływu substratu wolnorozkładalnego (w postaci związków koloidalnych i zawiesinowych) na kinetykę wybranych procesów biochemicznych, zachodzących w komorach osadu czynnego (tj. denitryfikacja, uwalnianie i anoksyczny/tlenowy pobór fosforanów oraz pobór tlenu), opierając się na badaniach prowadzonych w dwóch dużych komunalnych oczyszczalniach ścieków "Wschód" w Gdańsku i "Dębogórze"...
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Thermoluminescence kinetics of undoped and doped (Ti, Cu, Ce) lithium aluminate crystals
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Kinetics of spinodal decomposition in the Ising model with dynamic lattice liquid (DLL) dynamics
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Kinetics of Biotic and Abiotic CO Production during the Initial Phase of Biowaste Composting
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Kinetics of aquation of Ni(II) oxydiacetate complex induced by Fe(III) ions
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Vitamin D kinetics in the acute phase of critical illness: A prospective observational study
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Kinetics of photochromic reactions of substituted azobenzenes in solutions, and in liquid crystalline and polymer matrices
PublicationBadano kinetykę fotochromowych reakcji pochodnych azobenzenu: eterów koronowych z resztą benzenu i 4-metoksy-4´-halogenoazobenzenów zdolnych do tworzenia fazy ciekłokrystalicznej. Fotoaktywne związki rozpuszczano w alkanach, polimerach i w ciekłokrystalicznej matrycy. Izomeryzacja odpowiada kinetyce pierwszego rzędu w niektórych polimerach, jednakże stwierdzono zróżnicowanie stałych szybkości reakcji. Termiczna izomeryzacja cis-trans...
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The effect of slowly biodegradable substrate on the kinetics of biochemical processes in activated sludge bioreactors
PublicationCelem niniejszej rozprawy doktorskiej było określenie wpływu substratu wolnorozkładalnego (w postaci związków koloidalnych i zawiesinowych) na kinetykę wybranych procesów biochemicznych, zachodzących w komorach osadu czynnego (tj. denitryfikacja, uwalnianie i anoksyczny/tlenowy pobór fosforanów oraz pobór tlenu), opierając się na badaniach prowadzonych w dwóch dużych komunalnych oczyszczalniach ścieków "Wschód" w Gdańsku i "Dębogórze"...
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Removal of diphenols using pine biochar. Kinetics, equilibrium, thermodynamics, and mechanism of uptake
PublicationThermal pyrolysis synthesized activated biochar from the Pinus elliottii sawdust (PS) at 600° C. The obtained activated biochar (PB600) was used for the removal of three diphenols, catechol (CAT), resorcinol (RES), and hydroquinone (HYD), which are utilized mainly in different industries. The PB600 was characterized by several analytical techniques. The BET surface area of 1473 m2.g−1 and a total pore volume of 0.707 cm3 g−1 was...
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ORF Approximation in Numerical Analysis of Fractional Point Kinetics and Heat Exchange Model of Nuclear Reactor
PublicationThis paper presents results concerning numerical solutions of the fractional point kinetics (FPK) and heat exchange (HE) model for a nuclear reactor. The model consists of a nonlinear system of fractional and ordinary differential equations. Two methods to solve the model are compared. The first one applies Oustaloup Recursive Filter (ORF) and the second one applies Refined Oustaloup Recursive Filter (RORF). Simulation tests have...
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ORF Approximation in Numerical Analysis of Fractional Point Kinetics and Heat Exchange Model of Nuclear Reactor
PublicationThis paper presents results concerning numerical solutions of the fractional point kinetics (FPK) and heat exchange (HE) model for a nuclear reactor. The model consists of a nonlinear system of fractional and ordinary differential equations. Two methods to solve the model are compared. The first one applies Oustaloup Recursive Filter (ORF) and the second one applies Refined Oustaloup Recursive Filter (RORF). Simulation tests have...
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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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Crystallization kinetics study of dynamically vulcanized PA6/NBR/HNTs nanocomposites by nonisothermal differential scanning calorimetry
PublicationInvestigation of crystallization behavior and kinetics of thermoplastic elastomer nanocomposites was the subject of limited works because of complexities associated with semiexperimental modeling of such phenomenon in a system containing components having completely different behavior in the molten state. Nonisothermal crystallization kinetics of dynamically vulcanized PA6/NBR/HNTs thermoplastic elastomer nanocomposites was mathematically...
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Thermal decomposition kinetics of dynamically vulcanized polyamide 6-acrylonitrile butadiene rubber-halloysite nanotube nanocomposites
PublicationThermally stable thermoplastic elastomer nanocomposites based on polyamide 6 (PA6), acrylonitrile butadiene rubber (NBR), and halloysite nanotubes (HNTs) were dynamically vulcanized, and their nonisothermal decomposition kinetics were examined. The Friedman, Kissinger–Akahira–Sunose (KAS), Ozawa–Wall–Flynn (FWO), and modified Coats–Redfern (m‐CR) isoconversional models were used to obtain information about the kinetics of the thermal...
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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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Thermal degradation kinetics of poly(propylene succinate) prepared with the use of natural origin monomers
PublicationLinear biobased polyester polyols were prepared with the use of succinic acid and 1,3-pro- panediol (both with natural origin). Tetraisopropyl orthotitanate (TPT) was used as a catalyst. In order to determine the effect of various synthesis temperature conditions on the thermal degradation kinet- ics, nine sequences of temperature conditions were used during two-step polycondensation reaction. Thermogravimetric analysis was conducted...
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Decomposition of xenobiotics during visible light irradiation in the presence of immobilised photosensitisers: kinetics study
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Tb3+ ions in the presence of ZnS:Mn2+ nanocrystals incorporated into silica: Tb3+ and Mn2+ luminescence kinetics
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Effects of the polyhistidine tag on kinetics and other properties of trehalose synthase from Deionococcus geothermalis
PublicationTwo recombinant trehalose synthases from Deinococcus geothermalis (DSMZ 11300) were compared. A significant influence of the artificial polyhistidine tag was observed in protein constitution. The recombinant trehalose synthase from D. geothermalis with His6 -tag has a higher K m value of 254 mM, in comparison with the wild-type trehalose synthase (K m 170 mM), and displayed a lower activity of maltose conversion when compared...
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Thermodynamics and kinetics of amphotericin B self-association in aqueous solution characterized in molecular detail
PublicationAmphotericin B (AmB) is a potent but toxic drug commonly used to treat systemic mycoses. Its efficiency as a therapeutic agent depends on its ability to discriminate between mammalian and fungal cell membranes. The association of AmB monomers in an aqueous environment plays an important role in drug selectivity, as oligomers formed prior to membrane insertion – presumably dimers – are believed to act differently on fungal (ergosterol-rich)...
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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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Fully bio-based poly(propylene succinate) synthesis and investigation of thermal degradation kinetics with released gases analysis
PublicationOne of the most important information about polyesters is their thermal stability and phase transition tem- peratures. These characteristics give information about the promising behavior of the polyester during proces- sing. In this work, linear bio-based polyester polyols were prepared with the use of succinic acid and 1.3- propanediol (both with natural origin). As a polycondensation catalyst was used tetraisopropyl orthotitanate...
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High-temperature kinetics study of 430L steel powder oxidized in air at 600–850 °C
PublicationThe 430L stainless steel powder with a mean particle size of 95 μm was studied to determine its high-temperature oxidation properties. Continuous thermogravimetric measurements were carried out for 100 h in air at temperatures in the range of 600–850 °C. Even though a considerable amount of Cr (up to ˜5 wt.% Cr) inside the grains was depleted – especially inside small grains – no breakaway oxidation was observed. This indicates...
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Kinetics of the Adsorption of Copper and Lead Ions from Aqueous Solution on to WD-ekstra Activated Carbon
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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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Bayesian separation algorithm of THz spectral sources applied to D-glucose monohydrate dehydration kinetics
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Equilibrium and kinetics studies for the adsorption of Ni2+ and Fe3+ ions from aqueous solution by graphene oxide
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Esterification kinetics of glycerol with fatty acids in the presence of zinc carboxylates: Preparation of modified acylglycerol emulsifiers.
PublicationZbadano zależności kinetyczne estryfikacji glicerolu kwasami tłuszczowymi (C12:0 - C18:0), prowadzonych w obecności soli cynku tych kwasów tłuszczowych. Przeanalizowano wpływ temperatury, stężenia karboksylanu oraz budowy części hydrofobowej kwasu tłuszczowego i karboksylanu, na postęp reakcji estryfikacji. Wyznaczono wartości odpowiednich stałych szybkości reakcji, energii aktywacji oraz maksymalnej zawartości monoestru glicerolu,...
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Exploring multi-step glucose oxidation kinetics at GOx-functionalized nanotextured gold surfaces with differential impedimetric technique
PublicationFor a few past years, we can observe the enormous growth of investigations related to ultrasensitive electrochemical sensors capable of reliable determination of important body parameters and analytes. Utilized procedures rely on standard electrochemical methods, demanding electrode polarization, and information about the initial characteristics of the working electrode. More and more complex electrode materials are characterized...
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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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Kinetics of the photosensitized degradation of benzyl 4-hydroxybenzoate in homogeneous aqueous solution under visible-light irradiation
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A Single Mutation in a Tunnel to the Active Site Changes the Mechanism and Kinetics of Product Release in Haloalkane Dehalogenase LinB*
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Titanium(IV) Oxide Modified with Activated Carbon and Ultrasounds for Caffeine Photodegradation: Adsorption Isotherm and Kinetics Study
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Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements
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Crystal Structure, Hydration, and Two-Fold/Single-Fold Diffusion Kinetics in Proton-Conducting Ba0.9La0.1Zr0.25Sn0.25In0.5O3−a Oxide
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Sandwich-like mesoporous silica flakes for anticancer drug transport—Synthesis, characterization and kinetics release study
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Adsorption of cationic dyes onto Fe@graphite core–shell magnetic nanocomposite: Equilibrium, kinetics and thermodynamics
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Ammonium removal from aqueous solution by natural zeolite, Transcarpathian mordenite, kinetics, equilibrium and column tests.
PublicationOpisano wyniki badań procesu usuwania jonów amonowych z wodnych roztworów modelowych z wykorzystaniem mordenitu-naturalnego zeolitu (w postaci surowej i po odpowiedniej wstępnej obróbce) zarówno w warunkach statycznych jak i dynamicznych. Oszacowano pojemność jonowymienną w stosunku do jonów amonowych (1,64 meq/g) w przypadku, gdy stężenie początkowe analitu było na poziomie 1000 mg/l. Sprawdzono również wpływ na przebieg procesu...
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Temperature Impact of Nitrogen Transformation in Technological System: Vertical Flow Constructed Wetland and Polishing Pond
PublicationThe article describes the results of the research, purpose of which was to evaluate influence of the temperature on the effectiveness of nitrification and denitrification in the sewage treatment system consisting of vertical flow constructed wetland and polishing pond. During the analysed period, the efficiency of removing total nitrogen was low and amounted to 12.7%. In the polishing pond in the summer period, content of total...