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Search results for: hydraty metanu
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Hydraty metanu jako źródło energii
PublicationHydraty metanu są strukturami krystalicznymi, składającymi się z cząsteczki gazu otoczonej cząsteczkami wody. Koncentrują one ogromne ilości metanu - szacuje się, że ok. 10 tys. Gt węgla organicznego jest uwięzionych w złożach hydratów. Dwukrotnie przewyższa to ilość węgla organicznego dostępnego w postaci konwencjonalnych paliw kopalnych
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Solubility of Methane in Water: Some Useful Results for Hydrate Nucleation
PublicationIn this paper, the solubility of methane in water along the 400 bar isobar is determined by computer simulations using the TIP4P/Ice force field for water and a simple LJ model for methane. In particular, the solubility of methane in water when in contact with the gas phase and the solubility of methane in water when in contact with the hydrate has been determined. The solubility of methane in a gas–liquid system decreases as temperature...
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Metals
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Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations
PublicationIn this work, we shall estimate via computer simulations the homogeneous nucleation rate for the methane hydrate at 400 bars for a supercooling of about 35 K. The TIP4P/ICE model and a Lennard-Jones center were used for water and methane, respectively. To estimate the nucleation rate, the seeding technique was employed. Clusters of the methane hydrate of different sizes were inserted into the aqueous phase of a two-phase gas–liquid...
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SYNTHETIC METALS
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Pylenie metalu w środowisku rafineryjnym = Metal dusting in refinery environment
PublicationPrzedstawiono niektóre wyniki pierwszego etapu pracy zaprojektowanej w celu określenia mechanizmu pylenia stali 9Cr-1Mo w środowisku pieców Platformingu CCR oraz wpływu dodatku siarki w środowisku na degradację mikrostruktury stali w zaawansowanym etapie pylenia.
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Nowy typ analizatora do oznaczania wodoru, metanu, etanu i propanu w zakresie dolnej granicy wybuchowości
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RP-HPLC WITH DETECTION BY MEANS OF ESI-MS AND UV FOR IDENTIFICATION OF CHROMATOGRAPHIC PEAKS OF SOME HYDROXY DERIVATIVES OF EPOXY RESIN
PublicationThe composition of products synthesized on the basis of ED-24 epoxy resin has been studied using a reversed phase high-performance liquid chromatography followed by an electrospray ionization mass spectrometry (RP-HPLC/ESI-MS). The synthesized products contain free hydroxy groups and such groups, as epoxy, peroxy, carboxy or acrylate.
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Synthesis and comprehensive structural and physicochemical characterization of dutasteride hydrochloride hydrate solvates
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Solubility of carbon dioxide in water: Some useful results for hydrate nucleation
PublicationIn this paper, the solubility of carbon dioxide (CO2) in water along the isobar of 400 bar is determined by computer simulations using the well-known TIP4P/Ice force field for water and the TraPPE model for CO2. In particular, the solubility of CO2 in water when in contact with the CO2 liquid phase and the solubility of CO2 in water when in contact with the hydrate have been determined. The solubility of CO2 in a liquid–liquid...
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The effects of calcium–silicate–hydrate (C–S–H) seeds on reference microorganisms
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SYNTHESIS AND PROPERTIES OF OLIGOMERS WITH HYDROXY END-GROUPS
PublicationMethods of oligomers (polymers) with hydroxy end-groups obtaining are examined. The synthesis of hydroxy-containing oligomers based on epoxy resins is of special attention. The molecules of mentioned oligomers apart from free primary and secondary hydroxy groups contain epoxy, peroxy, carboxy or acrylic groups.
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Metals and metal-binding ligands in wine: Analytical challenges in identification.
PublicationBackground Due to important role of metals in the vinification process as well as their impact on the human health, their content in this alcoholic beverage has been extensively studied by many researchers. It is already known that speciation of metals determines their toxicity and bioavailability as well as influences their activity. Understanding the chemistry and knowing the structures of metal complexes could have relevant...
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Matatu
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Metall
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The structure of dimethylsulfoxide-solvated magnesium and calcium ions in solution and the solid state, and overview of the coordination chemistry of hydrated and solvated alkaline earth metal ions
PublicationOznaczono strukturę w stanie stałym i ciekłym solwatowanych jonów magnezu i wapnia w dimetylosulfotlenku. Stwierdzono, ze jony te tworzą sześciokoordynacyjne solwaty ze średnią długością wiązań Mg-O i Ca-O 2.062(4) i 2.303(5)A. Przegląd literaturowy ukazał, że jony berylu i magnezu we wszystkich rozpuszczalnikach tworzą odpowiednio cztero- i sześciokoordynacyjne solwaty, podczas gdy jony wapnia i strontu istnieją jako ośmiokoordynacyjne...
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Guanosine Dianions Hydrated by One to Four Water Molecules
PublicationIntermolecular interactions such as those present in molecule···water complexes may profoundly influence the physicochemical properties of molecules. Here, we carried out an experimental–computational study on doubly deprotonated guanosine monophosphate···water clusters, [dGMP – 2H]2–·nH2O (n = 1–4), using a combination of negative anion photoelectron spectroscopy (NIPES) with molecular dynamics (MD) and quantum chemical (QM) calculations....
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Fate of Dipole-Bound Anion States when Hydrated
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Model equations for interactions of hydrated species in transmembrane transport
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Simplified AutoDock force field for hydrated binding sites
Publicationhas been extracted from the Protein Data Bank and used to test and recalibrate AutoDock force field. Since for some binding sites water molecules are crucial for bridging the receptor-ligand interactions, they have to be included in the analysis. To simplify the process of incorporating water molecules into the binding sites and make it less ambiguous, new simple water model was created. After recalibration of the force field on...
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Weakly Hydrated Solute of Mixed Hydrophobic–Hydrophilic Nature
PublicationInfrared (IR) spectroscopy is a commonly used and invaluable tool in studies of solvation phenomena in aqueous solutions. Concurrently, density functional theory calculations and ab initio molecular dynamics simulations deliver the solvation shell picture at the molecular detail level. The mentioned techniques allowed us to gain insights into the structure and energy of the hydrogen bonding network of water molecules around methylsulfonylmethane...
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Wpływ popiołu lotnego na stopień wymywania wybranych metali ciężkich z betonu
PublicationW artykule zaprezentowano wyniki badań modelowych (2 lata) wymywania metali ciężkich z betonu z udziałem dodatku mineralnego - popiołu lotnego, w ilości od 15%, do 40% masy cementu. W badaniach ograniczono się do zbadania poziomu uwalnia metali ciężkich w postaci: Zn2+, Cr3+, Cd2+, Cu2+, Ni2+ oraz Pb2+. Uzyskane wyniki potwierdzają wysoki poziom immobilizacji metali ciężkich w mikrostrukturze betonu. Metale ciężkie ulegają adsorpcji...
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A first-principles study of electron attachment to the fully hydrated bromonucleobases
PublicationDegradation mechanism of four brominated nucleobases (BrX), potential DNA radiosensitizers, is studied in explicit water solution, using ab initio molecular dynamics. Several fs long dynamics is needed to localize an electron on the nucleobase. Produced by electron attachment BrX anion radical degrades through the bromide anion abstraction, barrier-free (purines) or with low barrier (pyrimidines), to a reactive nucleobase radical....
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Bioaccumulation of metals in tissues of marine animals, Part II - metal concentrations in animal tissues
PublicationThe bioaccumulation of metals in an animal depends on a multitude of factors: biotic ones, like its body dimensions and mass, age, sex, diet, metabolism and position in the trophic web, as well as abiotic ones such as the distribution of metals in its environment, the salinity, temperature and pH of the water, habitat type, interactions with other metals. But it is diet that has the greatest influence on the accumulation of metals...
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Determination of Hydroxy Groups in the Modified Epoxy Oligomers Using IR-Spectroscopy
PublicationThe use of IR-spectroscopy has been proposed to determine the content of hydroxy groups in the modified functional oligomers based on bisphenol A diglycidyl ether. Apart from hydroxy groups the investigated oligomers contain epoxy or peroxy, carboxy or acrylic groups.
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The occurrence of heavy metals and metal-resistant bacteria in water and bottom sediments of the Straszyn reservoir (Poland)
PublicationThe aim of this study is investigate the distribution of selected heavy metals (zinc, copper, lead, cadmium) and metal-resistant bacteria in water and bottom sediments of drinking water reservoir for Gdańsk (Poland). The research area - Straszyn Lake is a dam reservoir on Radunia river, of the total volume of 3 mln m3. Sediment and water sampling took place between May and October 2013 (eight series). Regarding metal concentration...
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Amine-Catalyzed Direct Aldol Reactions of Hydroxy- and Dihydroxyacetone: Biomimetic Synthesis of Carbohydrates
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Molecular Dynamics of Complexes of Atosiban with Neurohypophyseal Receptors in the Fully Hydrated Phospholipid Bilayer
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RARE METALS
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OXIDATION OF METALS
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PROTECTION OF METALS
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Katalizatory do konwersji metanu z dwutlenkiem węgla
PublicationW ratykule zawarto przegląd literatury w zakresie katalizatorów do suchego reformingu metanu.
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An Easy and Ecological Method of Obtaining Hydrated and Non-Crystalline WO3−x for Application in Supercapacitors
PublicationIn this work, we report the synthesis of hydrated and non-crystalline WO3 flakes (WO3−x) via an environmentally friendly and facile water-based strategy. This method is described, in the literature, as exfoliation, however, based on the results obtained, we cannot say unequivocally that we have obtained an exfoliated material. Nevertheless, the proposed modification procedure clearly affects the morphology of WO3 and leads to loss...
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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublicationTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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Evaluation of effectiveness of hydrated lime additive in protecting asphalt concrete against water and frost
PublicationArtykuł przedstawia wyniki badań laboratoryjnych odporności betonu asfaltowego z dodatkiem wapna hydratyzowanego na działanie wody i mrozu. Niszczące oddziaływanie wody i mrozu oceniano przez zestawienie wytrzymałości na pośrednie rozciąganie i modułu sztywnosci sprężystej przed i po laboratoryjnej symulacji działania wody i mrozu zmodyfikowaną metodą Lottmana. Działanie 2 środków adhezyjnych (wapna hydratyzowanego i aminu tłuszczowego)...
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Elastic-plastic properties of metal matrix composites: Validation of mean-field approaches
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Ni/cerium Molybdenum Oxide Hydrate Microflakes Composite Coatings Electrodeposited from Choline Chloride: Ethylene Glycol Deep Eutectic Solvent
PublicationCerium molybdenum oxide hydrate microflakes are codeposited with nickel from a deep eutectic solvent-based bath. During seven days of exposure in 0.05 M NaCl solution, the corrosion resistance of composite coating (Ni/CeMoOxide) is slightly reduced, due to the existence of some microcracks caused by large microflakes. Multielemental analysis of the solution, in which coatings are exposed and the qualitative changes in the surface...
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Anion–water interactions of weakly hydrated anions: molecular dynamics simulations of aqueous NaBF4 and NaPF6
PublicationIn aqueous ionic solutions, both the structure and the dynamics of water are altered dramatically with respect to the pure solvent. The emergence of novel experimental techniques makes these changes accessible to detailed investigations. At the same time, computational studies deliver unique possibilities for the interpretation of the experimental data at the molecular level. Here, using molecular dynamics simulations, we demonstrate...
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Mocz jako źródło informacji o narażeniu zawodowym na metale = Urine as a source of information on occupational exposure to metals- a review
PublicationW pracy przedstawiono informacje na temat możliwości wykorzystywania próbek moczu ludzkiego jako materiału do badań analitycznych ukierunkowanych na uzyskanie informacji o narażeniu zawodowym na metale. Szczególną uwagę zwrócono na:-techniki izolacji i wzbogacania metali i ich metabolitów z próbek moczu,-techniki oznaczania metali w otrzymywanych ekstraktach,-zebranie informacji literaturowych odnośnie oznaczanych stężeń metali...
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Stal Metale & Nowe Technologie
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Obróbka Plastyczna Metali
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HEAT TREATMENT OF METALS
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PLATINUM METALS REVIEW
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Non-ferrous Metals
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PHYSICS OF METALS AND METALLOGRAPHY
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METALS AND MATERIALS INTERNATIONAL
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Rozmieszczenie wybranych metali ciężkich w ekosystemie oczyszczalni hydrofitowej w Bielkowie.Distribution of heavy metals in ecosystem of free water surface system in Bielkowo.
PublicationIn the article the results of investigations of biomass crop and heavy metal contents in bottom sediments and in three species of plants (Glyceria maxima, Typha latifolia)inhabiting a wetland system in Bielkowo, Poland are presented. The measurements were carried out three times during the vegetation season (May, July and October). The contents of metals in different fragments of plants (leaves, stalks and roots) was analyzed....
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TMSCL as a rate accelerating additive in acylations of amines with 5-(α- amino-α'-hydroxy)methylene meldrum's acids
PublicationAspects are presented of the acylation of amines, alcohols and thiols with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids. We placed special emphasis on the acylation reaction of secondary amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids, which, due to their basicity, caused problems concerning salt formation with a Meldrum acid derivative. We found that secondary amines, which react at the slowest rate and with a...
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TMSCl Promoted Acylation of Amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's Acids - Elucidation of Mechanism.
PublicationRecently we have observed accelerating influence of trimethyl silyl chloride addition on the rate of the reactions of 5-(α-amino- α'-hydroxy)methylene Meldrum's Acids with amines, particularly in the case of highly basic amines. However the nature of the aforementioned process remain unexplained. In proposed communication we wish to report insightful elucidation of this mechanism. The reaction under investigation involves simply...
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Computer-Aided System for Layout of Fire Hydrants on Boards Designed Vessel Using the Particle Swarm Optimization Algorithm
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