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Wyniki wyszukiwania dla: HYDROGEN%20BONDS
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
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Crystal structure, hydrogen bonds, and lattice dynamics in kanemite from first-principles calculations
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Supramolecular Synthesis Based on a Combination of Se···N Secondary Bonding Interactions with Hydrogen and Halogen Bonds
PublikacjaExamination of the solid state structures of 2,1,3-benzoselenadiazole complexes with hydrogen or halogen bond donors has demonstrated that the 2,1,3-benzoselenadiazole molecules preferably form centrosymmetric dimers with use of [Se–N]2 supramolecular synthon, whereas the two remaining nitrogen atoms not involved in the [Se–N]2 supramolecular interactions can act as acceptors of hydrogen or halogen bonds. Cocrystallization of selenadiazoles...
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Hydrogen Bonds in Blends of Poly(N-isopropylacrylamide), Poly(N-ethylacrylamide) Homopolymers, and Carboxymethyl Cellulose
PublikacjaRecently, it was reported that the physical crosslinking exhibited by some biopolymers could provide multiple benefits to biomedical applications. In particular, grafting thermoresponsive polymers onto biopolymers may enhance the degradability or offer other features, as thermothickening behavior. Thus, different interactions will affect the different hydrogen bonds and interactions from the physical crosslinking of carboxymethyl...
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Charge-assisted N(+)–H···(−)S hydrogen bonds in the crystal structure of selected diammonium thiophenolates.
PublikacjaNew salts of thiophenol with three flexible aliphatic diamines H2N(CH2)nNH2 (n = 2, 4 and 6) have been synthesized and characterized by elemental analyses, IR spectroscopy and X-ray crystallography in order to analyze their supramolecular architecture. Structural analyses indicate that in the crystals, proton transfer has occurred, with the –SH group giving (+)N–H···S(−) hydrogen bonding interaction. The structure of compound 1...
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Stabilization of N-, N,N-, N,N'-Methylated and Unsubstituted Simple Amidine Salts by Multifurcated Hydrogen Bonds
PublikacjaIn the light of the usefulness of amidines in medicinal chem., this paper considers the effects on biol. properties and chem. reactivities of org. mols. affected by intramol. interactions. The study of chem. shifts has been an important source of information on the electronic structure of amidine salts and their ability to form non-covalent bonds with nucleic acids. The NMR and IR results demonstrate that hydrogen bonds are...
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Proton transfer and hydrogen bonds in supramolecular, self-assembled structures of imidazolium silanethiolates. X-ray, spectroscopic and theoretical studies
PublikacjaThe reaction of 1-methylimidazole, 2-ethyl-4-methylimidazole and 2-ethylimidazole with tris(2,6- diisopropylphenoxy)silanethiol (TDST) leads to the formation of three new salts, which have been characterized by elemental analyses, thermogravimetric analyses, FTIR spectroscopy, and their structures were determined by single-crystal X-ray diffraction. Structural analyses indicate that in all three compounds a proton transfer has...
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Experimental and quantum chemical evidences for C–H⋯N hydrogen bonds involving quaternary pyridinium salts and pyridinium ylides
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Variable-temperature X-ray diffraction study of structural parameters of NH---S hydrogen bonds in triethylammonium and pyridinium silanethiolates
PublikacjaHydrogen bonds in triethylammonium and pyridinium silanethiolate salts have been characterized by X-ray, FT–IR and NMR spectroscopies. DFT calculations reveal strongly asymmetric double-well minima at the potential energy curves of the studied compounds
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Recent Progress on Hydrogen Storage and Production Using Chemical Hydrogen Carriers
PublikacjaDepleting fossil fuel resources and anthropogenic climate changes are the reasons for the intensive development of new, sustainable technologies based on renewable energy sources. One of the most promising strategies is the utilization of hydrogen as an energy vector. However, the limiting issue for large-scale commercialization of hydrogen technologies is a safe, efficient, and economical method of gas storage. In industrial practice,...
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An effective method for studying intermolecular interactions in binary liquids with hydrogen bonds: FTIR spectra and ab initio calculations in the N-methylformamide - methanol system
PublikacjaMolecular complexes in methanol (MeOH)−N-methylformamide (NMF) mixtures were studied based on their FTIR-ATR spectra, to which two methods of analysis were applied: factor analysis and a quantitative version of the difference-spectra method. The mean composition of a complex between NMF and MeOH molecules over the whole range of mixture compositions was determined. Absorbing species differentiated with regard to the interaction...
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Experimental and numerical study on spontaneous ignition of hydrogen and hydrogen-methane jets in air
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Influence of hydrogen on a nanocrystalline high-entropy oxide with application potential in hydrogen technologies
PublikacjaThe influence of hydrogen on a (Co0⋅2Cu0⋅2Mg0⋅2Ni0⋅2Zn0.2)O HEO with a rock salt structure was studied. Two forms of this HEO (nanopowder and sinter) were prepared via mechanochemical synthesis (MS) and additional heat treatment, respectively. The chemical stability of the synthesized samples in a pure hydrogen atmosphere was investigated using Sievert’s technique. High-pressure hydrogenation at 250 ◦C had no noticeable effect...
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New examples of N^(+)-H···^(-)S hydrogen bonds: Synthesis and X-ray study of selected secondary ammonium tri-tert-butoxysilanethiolates
PublikacjaTri-tert-butoksysilanotiol reagując z aminami drugorzędowymi: Et2NH, morfoliną, dicykloheksyloaminą i 2,2,4,4-tetrametylopiperydyną daje odpowiednie sole amoniowe. Jak wykazują rentgenowskie badania strukturalne wszystkie te związki tworzą w ciele stałym jednostki dimeryczne {RS(-), R'NH2(+)}2, powiązane wiązaniami wodorowymi typu: N(+)-H···(-)S.
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Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach
PublikacjaCrystal structures of (H2m4na)NO3 (1), (H2m4na)HSO4 (2), (H2m4na)2SiF6 (3) and (H2m4na)2SiF6*2H2O (4), where 2m4na = 2-methyl-4-nitroaniline, are presented. Two layers of interactions occur in the structures, N—H...O/F hydrogen bonds and interactions with the nitro group. Although diverse, hydrogen-bonding patterns are compared with each other by means of interrelations among elementary graph-set descriptors and descriptors of hydrogen-bonding...
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Hydrogen migration in photodissociation of the pyridine molecules
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Dietary antioxidants as a source of hydrogen peroxide
PublikacjaStudies of 54 antioxidants revealed that 27 of them, mainly polyphenols, generated hydrogen peroxide (H2O2) when added to Dulbecco’s modified Eagle’s medium (DMEM), other media used for culture of mammalian and yeast cells and phosphate-buffered saline. The most active antioxidants were: propyl gallate (PG), (−)-epigallocatechin gallate (EGCG) and quercetin (Q). Chelex treatment and iron chelators decreased H2O2 generation suggesting...
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Hydrogen sulphide electrocatalytic gas sensor
PublikacjaIn this article measurement results of the electrocatalytic gas sensor in different concentrations of hydrogen sulphide are presented. Working principle of such sensor is based on electric current acquisition, while voltage ramp is applied to the sensor. During voltage sweep oxidation and reduction reactions occurs on the sensor electrodes. Obtained current-voltage plot has unique shape connected...
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Hydrogen generation using solar energy
PublikacjaWodór jest uważany za alternatywne i odnawialne źródło energii. Bezpośrednie wykorzystanie światła słonecznego do fotokatalitycznego lub fotoelektrochemicznego rozkładu wody może zapewnić w przyszłości ekonomicznie uzasadnione, alternatywne źródło wodoru. W pierwszym etapie naszych badań został zaprojektowany i zbudowany hybrydowy, fotowoltaiczno-elektrochemiczny układ, dokonujący konwersji energii promieniowania słonecznego na...
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Hydrogen generation using solar energy
PublikacjaWodór jest uważany za alternatywne i odnawialne źródło energii. Bezpośrednie wykorzystanie światła słonecznego do fotokatalitycznego lub fotoelektrochemicznego rozkładu wody może zapewnić w przyszłości ekonomicznie uzasadnione, alternatywne źródło wodoru. W wystąpieniu przedstawione zostały wyniki dotychczasowych prac związanych z hybrydową, fotowoltaiczno-elektrochemiczną instalacją do rozkładu wody oraz omówione zostały kierunki...
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Methods for the characterizing hydrogen degradation of materials
PublikacjaDokonano przeglądu różnych metod szacowania podatności na niszczenie wodorowe materiałów metalowych. Zaprezentowano charakterystyki warunków środowiskowych: standardowe składy środowisk ciekłych i gazowych, temperatury, warunki polaryzacji elektrochemicznej. Omówiono metody mechaniczne szacowania niszczenia wodorowego różniące się stanem naprężeń, w tym badania: przy stałym obciążeniu, stałym odkształceniu i stałej niskiej szybkości...
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The impedance of hydrogen oxidation reaction in a proton exchange membrane fuel cell in the presence of carbon monoxide in hydrogen stream
PublikacjaEvaluation of performance of a proton exchange membrane fuel cell, which is affected by carbon monoxide that pollutes the hydrogen stream, was presented. This influence was studied for carbon monoxide concentration of 125–325 ppb, which are close to values specified in ISO 14687:2019 standard. Performed studies provided crucial information for further development of fuel cell as an energy source for automotive application. Impedance...
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Multigap superconducting state in molecular metallic hydrogen
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Method for detection of hydrogen peroxide in HT22 cells
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Hydrogen degradation of high strength weldable steels
PublikacjaW pracy przedstawiono wyniki badań podatności stali spawalnych o wysokiej wytrzymałości na niszczenie wodorowe. Badano dwa gatunki stali S690Q i ich złącza spawane. Ocenę podatności na niszczenie wodorowe wykonano przy różnych rodzajach obciążeń w środowisku wody morskej przy polaryzacji katodowej.
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LES–CMC study of an excited hydrogen flame
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The influence of process parameters on photocatalytic hydrogen production
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Hydrogen degradation of high strength weldable steels
PublikacjaW pracy przedstawiono wyniki badań podatności stali spawalnych o wysokiej wytrzymałości na niszczenie wodorowe. Badano dwa gatunki stali S690Q i ich złącza spawane. Ocenę podatności na niszczenie wodorowe wykonano w oparciu o próbę rozciągania z małą prędkością odkształcania w powietrzu i środowisku wody morskiej przy polaryzacji katodowej. Przedstawiono model niszczenia wodorowego badanych stali i ich złączy spawanych.
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Optimization of Hydrogen - Evolving Photochemical Molecular Devices
PublikacjaA molecular photocatalyst consisting of a RuII photocenter, a tetrapyridophenazine bridging ligand, and a PtX2 (X=Cl or I) moiety as the catalytic center functions as a stable system for light-driven hydrogen production. The catalytic activity of this photochemical molecular device (PMD) is significantly enhanced by exchanging the terminal chlorides at the Pt center for iodide ligands. Ultrafast transient absorption spectroscopy...
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Hydrogen Damage in Superaustenitic 904L Stainless Steels
Publikacjaresults on the influence of hydrogen on corrosion resistance and of hydrogen embrittlement of 904L superaustenitic stainless steel were investigated. The cracking behavior was studied by performing a slow strain rate test in synthetic seawater under varying cathodic polarization conditions. The results showed that the steel’s plasticity varied with the applied cathodic current density. Significant reductions in ductility were found,...
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An experimental study of high-hydrogen welding processes
PublikacjaThis paper presents investigation results of determination of the diffusible hydrogen content in deposited metal obtained by means of two most often used methods-the glycerin method and the mercury method. Relation has been defined between results of those methods in the area characteristic of low-hydrogen as well as high-hydrogen welding processes. Relations available in the literature do not include the diffusible hydrogen content...
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Molecular hydrogen solvated in water – A computational study
PublikacjaThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...
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Study on hydrogen uptake of functionalized carbon nanotubes
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Hydrogen charging of nitrided steel in acid solution
PublikacjaKonstrukcyjną stal, azotowaną w wyładowaniu jarzeniowym w mieszaninie gazów o różnej zawartości N2, H2 i Ar, poddawano katodowemu nawodorowaniu w kwaśnym roztworze, imitującym przepracowany olej maszynowy. W pomiarach szybkości przenikania wodoru i ekstrakcji próżniowej określano wpływ azotowanych warstw, odpowiednio, na transport wodoru i na jego nieodwracalne pułapkowanie. W obecności niezdefektowanej warstwy kompaktowych azotków...
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9-Cyano-10-methylacridinium hydrogen dinitrate
PublikacjaThe title compound, C15H11N2+·HN2O6−, crystallizes in the monoclinic space group C2/c with four molecules in the unit cell. The planar 9-cyano-10-methylacridinium cations lie on crystallographic twofold axes and are arranged in layers, almost perpendicular to the ac plane, in such a way that neighbouring molecules are positioned in a `head-to-tail' manner. These cations and the hydrogen dinitrate anions are linked through C—H⋯O...
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Hydrogen degradation of pre-oxidized zirconium alloys
PublikacjaThe presence of the oxide layers on Zr alloys may retard or enhance the hydrogen entry and material degradation, depending on the layer features. This research has been aimed to determine the effects of pre-oxidation of the Zircaloy-2 alloy at a different temperature on hydrogen degradation. The specimens were oxidised in laboratory air at 350°C, 700°C, and 900°C. After, some samples were tensed at 10-5 strain rate and simultaneously...
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Oxidation and hydrogen behavior in Zr-2Mn alloy
PublikacjaThe purpose of the present research was to determine the oxidation and hydrogenation behavior in the new Zr-2Mn alloy. The oxidation of alloy was performed at temperatures between 350°C and 900°C for 30 minutes. The hydrogen charging was made for 72 h at a current density 80 mA/cm2. The charged samples were heat treated at 400°C for 4 h to obtain a uniform hydrogen profile content across the sample. The oxidation resulted in an...
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Subrahmanyam Sappati Ph. D
OsobyTenure track faculty position at the Gdansk University of Technology, Gdansk, Poland. (Nobelium grant fellow)! Working on the behavior of short hydrogen bonds SB both in-ground and excited state in crystals, aqueous & bio environ
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Hydrogen activated axial inter-conversion in SiC nanowires
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Hydrogen degradation of structural steels in technical hydrocarbon liquids
PublikacjaDla stali stopowych przeprowadzono badania absorpcji wodoru, mechaniczno-korozyjne przy stałej małej prędkości odkształcania, przy stałym obciążeniu i przy obciążeniu cyklicznie-zmiennym. Środowiskiem było paliwo kotłowe, przepracowany olej mineralny oraz gliceryna. Stwierdzono, iż pochłonięty wodór nie powoduje przedwczesnego zniszczenia stali poddanych działaniu stałego obciążenia ponizej granicy plastyczności oraz, że zaabsorbowany...
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Hydrogen production from biomass using dark fermentation
PublikacjaHydrogen applicability in the power, chemical and petrochemical industries is constantly growing. Efficientmethods of hydrogen generation from renewable sources, including waste products, are currently being de-veloped, even though hydrogen is mainly produced through steam reforming or thermal cracking of natural gasor petroleum fractions. In paper alternative methods of hydrogen production with a particular emphasis on darkfermentation...
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Hydrogen Production via Biomethane Reforming in DBD Reactor
PublikacjaProduction of hydrogen from CH4:CO2 (70%:30%) mixture simulating dry biogas in a DBD reactor supplied with AC of 1.0-2.0 kHz or nanosecond negative pulses is presented. We have found that hydrogen production and methane conversion degree increase linearly with discharge power in the range of up to 50 W. Nanosecond voltage pulses are much more efficient in hydrogen production than sine AC voltage
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The role of hydrogen in microwave plasma valorization of producer gas
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Hydrogen degradation of high-strength weldable steels in seawater
PublikacjaOceniono podatność na niszczenie wodorowe stali spawalnych o wysokiej wytrzymałości przy obciążeniach monotonicznie rosnących. Badano dwa gatunki stali ulepszonych cieplnie i ich złącza spawane. Przeprowadzono próby rozciągania z małą prędkością odkształcania w wodzie morskiej przy polaryzacji katodowej. Wykonano próby przenikania wodoru metodą Devanathana-Stachurskiego.
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Hydrogen delayed cracking of high-strength weldable steels
PublikacjaOceniano podatność na niszczenie wodorowe stali 14HNMBCu o wysokiej wytrzymałości i jej połączeń spawanych przy obciążeniu stałym w wodzie morskiej. Badania przeprowadzono w powietrzu, oraz w środowisku wody morskiej przy potencjale korozyjnym i przy polaryzacji katodowej. Obecność lub brak opóźnionych pęknięć próbek z karbem przyjęto za miarę odporności na niszczenie wodorowe przy stałym obciążeniu.
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Hydrogen degradation of high strength low alloyed steels.
PublikacjaBadano wpływ polaryzacji katodowej na własności stali węglowej, stali o podwyższonej i wysokiej wytrzymałości metodą stałego powolnego odkształcania.Stwierdzono, że stopień kruchości wodorowej każdej z badanych stali zależał od stężenia wodoru dyfuzyjnego.
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Hydrogen Storage in Geological Formations—The Potential of Salt Caverns
PublikacjaHydrogen-based technologies are among the most promising solutions to fulfill the ze- ro-emission scenario and ensure the energy independence of many countries. Hydrogen is considered a green energy carrier, which can be utilized in the energy, transport, and chemical sectors. However, efficient and safe large-scale hydrogen storage is still challenging. The most frequently used hydrogen storage solutions in industry, i.e., compression...
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Correlation between partial inhibition of hydrogen evolution using thiourea and catalytic activity of AB5-type hydrogen storage alloy towards borohydride electrooxidation
PublikacjaDirect borohydride fuel cells (DBFCs) are devices which directly convert the chemical energy stored in the borohydride ion and oxidant into electrical energy as a result of redox reactions. Unfortunately, a significant amount of fuel is lost as a result of the undesirable hydrolysis reaction. The selection of an efficient borohydride hydrolysis inhibitor requires detailed knowledge regarding the interaction mechanism between the...
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Electrochemical impedance studies of AB5-type hydrogen storage alloy
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Different Modes of Hydrogen Peroxide Action During Seed Germination
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