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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-enhanced degradation and oxide effects in zirconium alloys for nuclear applications
PublikacjaThe zirconium alloys used in nuclear industry include mainly ZreSn and ZreNb alloys ofdifferent chemical composition, microstructure and susceptibility to both hydrogendegradation and oxidation. The hypothetic nuclear accidents can create a real danger tothe Zr alloys and stability of parts made of these alloys, and especially such as loss ofcoolant accident (LOCA) and reactivity initiated accidents (RIA). The hydrogen degradationcan...
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Performance of the PEM fuel cell module. Part 2. Effect of excess ratio and stack temperature
PublikacjaThe paper describes a fuel cell based system performance under different thermal conditions. The system could be fed with bottled hydrogen or with very high purity hydrogen obtained from reforming of methanol. The system is based on two fuel cell units (1.2 kW each, produced by Ballard Power Systems Inc. and called Nexa), DC/DC converter, DC/AC inverter, microprocessor control unit, load unit, bottled hydrogen supply system and...
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Diffusible hydrogen content in deposited metal of multilayer welded joints
PublikacjaThe article describes manufacturing technology of multilayer joints in terms of control the diffusible hydrogen content. Diffusible hydrogen content in deposited metal for multilayer welded joints made of covered rutile electrodes or covered cellulosic and basic electrodes was determined. It was found that after four beads, the diffusible hydrogen content decreases in the case of the first technology from 36 ml/100 g to 18 ml/100...
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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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The Effect of Welding Conditions on Diffusible Hydrogen Content in Deposited Metal
PublikacjaThe article presents the results of a literature survey and preliminary tests which set out effects of welding conditions on the amount of diffusible hydrogen in deposited metal. Experiments were conducted by using rutile coated electrodes which generate high contents of diffusible hydrogen in deposited metal. The amount of diffusible hydrogen was determined by a glycerin test.Eleven factors were considered: the electrode angle,...
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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 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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Hopping or Tunneling? Tailoring the Electron Transport Mechanisms through Hydrogen Bonding Geometry in the Boron-Doped Diamond Molecular Junctions
PublikacjaMechanisms of charge transport in molecular junctions involving hydrogen bonds are complex and remain mostly unclear. This study is focused on the elucidation of the electron transfer in a molecular device consisting of two boron-doped diamond interfaces bound with an aromatic linker and a hydrogen bonding surrogating molecule. The projected local density of states (PLODS) analysis coupled with transmission spectra and current−voltage...
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Lanthanide-organic-frameworks modified ZnIn2S4 for boosting hydrogen generation under UV–Vis and visible light
PublikacjaNovel Ln-MOF with microrods shape were successfully combined with ZnIn2S4 (ZIS) microsphere and used for photocatalytic hydrogen generation under UV–Vis and visible light. The Ln-MOFs/ZIS system comprises lanthanide-carboxylate coordination networks (Tm and Gd as metal ions, and 1,3,5-benzenetricarboxylic acid (BTC) as the organic linker) deposited on ZnIn2S4 microspheres. Effect of the amount of ((Tm,Gd)-BTC) (1, 5, 10 wt%) on...
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<i>N,N</i>'-diphenylthiourea acetone monosolvate
PublikacjaIn the title compound, C13H12N2S·C3H6O, the phenyl rings of the thiourea molecule are in syn and anti positions in relation to the C=S bond. Two molecules are connected by N-HS=C hydrogen bonds into a centrosymmetric dimer. An additional N-HO=C hydrogen bond to the acetone solvent molecule and some weak C-H interactions reinforce the crystal structure.
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Assessment of hydrogenation of deposited metal of P 62 MR covered electrodes
PublikacjaThe determination of diffusible hydrogen content in deposited metal of P 62 MR covered electrodes for manual metal arc welding by mercury method was carried out. The test results indicate that covered electrodes 62 P MR grade generate a mean of 4.02 ml/100g of diffusible hydrogen in deposited metal, which is consistent with H5 class.
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Optimisation of cooperation of hybrid renewable energy sources with hydrogen energy storage toward the lowest net present cost
PublikacjaThe paper presents the results of a technical and economic analysis of the power supply for a model industrial facility based on intermittent renewable energy sources in the form of wind turbines and photovoltaic modules, supplemented with hydrogen energy storage. The adopted power supply strategy assumed the maximisation of self-consumption of self-produced electricity. Six variants were considered, including two with an energy...
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Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea
Publikacja1-Benzoylthioureas contain both carbonyl and thiocarbonyl functional groups and are of interest for their biological activity, metal coordination ability and involvement in hydrogen-bond formation. Two novel 1-benzoylthiourea derivatives, namely 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea, C₁₆H₁₆N₂O₃S, (I), and 1-benzoyl-3-(2-hydroxypropyl)thiourea, C₁₁H₁₄N₂O₂S, (II), have been synthesized and characterized. Compound (I) crystallizes...
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Determination of moisture resistance of covered electrodes according to PN-EN ISO 14372
PublikacjaMoisture present in the electrode covering is one of the sources of diffusible hydrogen in welded joints. In order to study the diffusible hydrogen content in deposited metal, a stand for moisturizing covered electrodes, in accordance with the PN-EN ISO 14372 standard, was built. After the stand was completed, a test of moisturizing the electrodes was carried out and measurements of the diffusible hydrogen content in deposited...
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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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Elimination and migration of hydrogen in the vacuum-ultraviolet photodissociation of pyridine molecules
PublikacjaElimination of the excited hydrogen atoms H(n), n = 4–7, and hydrogen migration in formation of the excited NH(A 3Π) free radicals in the photodissociation of pyridine, C5H5N, molecules have been studied over the 17.5–70 eV photon energy range. In the measurements the photon-induced fluorescence spectroscopy technique has been applied. Both fragments are produced through excitation of pyridine molecules into higher-lying superexcited...
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Correlation between structural and electrical properties in highly porous (Y,Sr)(Ti,Nb)O3-delta SOFC anodes
PublikacjaIn order to find a relationship between structural and electrical properties, niobium and yttrium doped SrTiO3 ceramics were prepared via solid-state reaction. The samples were sintered in hydrogen and air conditions. The samples were also fabricated with a pore-former to obtain highly porous specimens. The electrical properties of Nb-doped SrTiO3 samples and yttrium and niobium co-doped SrTiO3 were compared. The comparable electrical...
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Techno-economic assessment of cooperation of hybrid renewable energy sources with hydrogen storage
PublikacjaThe paper presents a technical and economic analysis of the power supply for a model industrial facility with the use of the most promising renewable energy sources (RES), supported by a hydrogen energy storage. This scenario was compared with the variants of supplying the facility directly from the grid and from RES without energy storage. A strategy was proposed for powering the plant aimed at maximising self-consumption of self-generated...
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Dual functionality of amphiphilic 1-alkyl-3-methylimidazolium hydrogen sulfate ionic liquids: surfactants with catalytic function
PublikacjaA series of amphiphilic 1-alkyl-3-methylimidazolium hydrogen sulfate ionic liquids were synthesized. Acidic hydrogen sulfate ionic liquids with the alkyl chains C6–C14 are characterized by good surface properties. Their surface properties (adsorption and micellization parameters, degree of ionization of micelles, Krafft temperatures and thermodynamic parameters) were determined. Synthesized ionic liquids were applied as a co-catalyst...
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Sulfate‐reducing bacteria‐assisted hydrogen‐induced stress cracking of 2205 duplex stainless steels
PublikacjaThe paper presents the results of a laboratory investigation of the microbiologically assisted hydrogen‐induced stress cracking (HISC) of 2,205 duplex stainless steel (DSS). The testing of susceptibility toward HISC was performed with two different methods. Precharged in sulfate‐reducing bacteria (SRB), inoculated medium samples were subjected to slow strain‐rate testing in artificial seawater. In situ constant load tests were...
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Urchin-like TiO2 structures decorated with lanthanide-doped Bi2S3 quantum dots to boost hydrogen photogeneration performance
PublikacjaThe formation of heterojunctions between wide- and narrow-bandgap photocatalysts is commonly employed to boost the efficiency of photocatalytic hydrogen generation. Herein, the photoactivity of urchin-like rutile particles is increased by decorating with pristine as well as Er- or Yb-doped Bi2S3 quantum dots (QDs) at varied QD loadings (1–20 wt%) and doping degrees (1–15 mol%), and the best hydrogen evolution performance is achieved at...
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Weakly Hydrated Solute of Mixed Hydrophobic–Hydrophilic Nature
PublikacjaInfrared (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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Alternative methods for dark fermentation course analysis
PublikacjaDark fermentation course analysis is crucial, as complexed matrix of gaseous components may be formed and revealed during the process. The paper considers key issues related to the microbiological process in which complex organic substances are transformed into hydrogen. For the purposes of hydrogen generation, the application of wastewater mixed sludge pre-treated according to Faloye method (Faloye et al. in Int J Hydrog Energy...
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Shape-controllable synthesis of GdVO4 photocatalysts and their tunable properties in photocatalytic hydrogen generation
PublikacjaNovel visible light responsive materials for water splitting are essential for the efficient conversion of solar energy into hydrogen bond energy. Among other semiconductors, gadolinium orthovanadate has appropriate conduction and valence band edges positioned to split water molecules and a narrow band gap that allows the use of visible light for hydrogen generation. Thus, we present here that hydrogen evolution under visible light...
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Preparation and X-ray structures of selected aminium thiosulfates
PublikacjaVarious types of aminium thiosulfates (1–6), including hydrates and mixed salts, have been obtained by the reaction of ammonium thiosulfate with amines. Tertbutylamine, cyclo-hexylamine and 1,6-diaminohexane gave crystals of (t-BuNH3)2S2O3·H2O (1), (c-C6H11NH3)2S2O3 (3) and {(NH4)2(H3NC6H12NH3)(S2O3)2} (6), respectively, which were investigated by X-ray structural analysis. Extensive hydrogen bonding of the N-H…O and N-H…S type...
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Effect of shielded electrode wet welding conditions on diffusible hydrogen content in deposited metal
PublikacjaWet welding is the most popular method of joining in water enviroment. During underwater welding, the weldability of steel is limited by the higher cooling rates and hydrogen content in weld metal. Article presents results of preliminary tests on the effects of wet welding conditions on diffusible hydrogen amount. Seven parameters were optimized using a Plackett-Burman plan to get the most relevant variables. These parameters were:...
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Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
PublikacjaFibroin–chitosan composites, especially those containing nanohydroxyapatite, show potential for bone tissue regeneration. The physicochemical properties of these biocomposites depend on the compatibility between their components. In this study, the intermolecular interactions of fibroin and chitosan were analyzed using a molecular dynamics approach. Two types of systems were investigated: one containing acetic acid and the other...
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Carburization Behavior of High-Grade Pellets After Direct Reduction in Pure Hydrogen
PublikacjaCarburization is a critical aspect in the iron and steel industry as it significantly affects the mechanical and chemical properties of the final product. This study provides a comprehensive analysis of the carburization potential of high-grade quality iron ore pellets after direct reduction in pure hydrogen. The results show that the porosity of the pellets has a significant impact on the efficiency and success of the direct reduction...
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Direct reduction of pellets through hydrogen: Experimental and model behaviour
PublikacjaThis paper presents the hydrogen reduction behaviour of industrial pellets designed for the efficient hydrogen based direct reduction. The pellets were provided with very low non ferrous oxides percentage (0.52 of basicity index) and with the absence on TiO2 oxides. The pellets measured diameters in the range 1.14–1.72 cm and were characterized in terms of porosity, pores size, tortuosity and compression strength. The pellets were...
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Corrosion and Cavitation Resistances of Low Alloy Steel After Frictional-Mechanical Treatment
PublikacjaPaper presents the results of the studies of wear, corrosion and cavitation resistances of the S355J2 low alloy medium carbon steel subjected to surface modification by friction-mechanical treatment, as tested in sea water simulated solution. To evaluate the effect of the surface treatment, the comparative studies of the corrosive properties of the steel before and after treatment have been considered. The treatment due to a severe...
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Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublikacjaThe electron impact X1Σ+g to b3Σ+u transition in molecular hydrogen is one of the most important dissociation pathways to forming atomic hydrogen atoms, and is of great importance in modeling astrophysical and industrial plasmas where molecular hydrogen is a substantial constituent. Recently it has been found that the convergent close-coupling (CCC) cross sections of Zammit et al. [Phys. Rev. A 95, 022708 (2017)] are up to a factor...
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Why is the cubic structure preferred in newly formed ice?
PublikacjaMolecular dynamics was employed to explain the preference for the cubic structure in newly formed crystals of ice. The results showed that in supercooled liquid water the molecules connected by hydrogen bonds are more likely to adopt relative orientations similar to the ones characteristic for cubic ice. The observed preference for certain relative orientations of molecules in the hydrogen-bonded pairs results in the higher probability...
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Effect of wet Hydrogen Sulfide on Carbon Steels Degradation in Refinery Based on Case Study
PublikacjaMaterial degradation caused by wet hydrogen sulfide (Wet H2S) is one of the major issues in refineries. Carbon steel is the main construction material used in refineries and is subjected not only to thickness loss but the hydrogen is the major concern. H2S leads to high atomic hydrogen penetration in steel which causes degradation in the form of blistering and/or cracking (HIC/SOHIC) and stress cracking in the area of welds and...
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Effect of the welding environment and storage time of electrodes on the diffusible hydrogen content in deposited metal
PublikacjaIn the study the glycerin displacement method was used for determination of diffusible hydrogen content in deposited metal. Specimens were welded in the air and in the water with covered rutile electrodes. The first part of the specimens was made immediately after opening the package of the electrodes. The electrodes were then stored in opened packages in laboratory conditions that allowed for contact with the air for three years....
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High Temperature Corrosion Evaluation of Porous Hastelloy X Alloy in Air and Humidified Hydrogen Atmospheres
PublikacjaIn this work a commercially available porous Hastelloy X alloy is characterized in terms of high temperature corrosion resistance. The alloy was oxidized in the temperature range from 500C to 900C in air and humidified hydrogen for 100 hours. Corrosion rates and porosity changes were measured. Microstructural characterization was performed using X-ray diffractometry and scanning electron microscopy. Results show that porous alloys...
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Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences
PublikacjaCooperation of aryl⋯perfluoroaryl stacking interactions and hydrogen bonds was utilized in the construction of six novel cocrystals of aromatic cis-amides with pentafluorobenzoic acid (pfba) and pentafluorophenol (pfp). They were obtained by crystallization from solution and structurally characterized. In four instances, the components form heterotetrameric motifs, in which amide:amide homodimer interacts symmetrically on two sides...
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M-BDC (M = Co and/ or Fe) MOFs as effective catalysts for hydrogen generation via hydrolysis of sodium borohydride
PublikacjaMono- (Co-BDC, Fe-BDC) and bimetallic FeCo-BDC Metal-Organic Frameworks are successfully synthesized by the solvothermal method in DMF at 150 °C within 15 h and tested as catalysts for sodium borohydride hydrolysis. The materials are characterized by FTIR, PXRD, TGA, ICP-OES, H2-TPR, BET model, and SEM-EDS. The catalytic activity of these materials is studied for dehydrogenation of sodium borohydride in water at various temperatures...
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1,3-Di-<i>n</i>-butylthiourea
PublikacjaIn the title compound, C9H20N2S, the n-butyl groups are in syn and anti positions in relation to the C=S bond. In the crystal, two molecules are connected by two N-H···S=C hydrogen bonds into a centrosymmetric dimer. Another N-H···S=C hydrogen bond links the dimers, forming layers with a hydrophilic interior and a hydrophobic exterior, which spread across the (100) plane. Interlacing of the...
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Effect of underwater local cavity welding method conditions on diffusible hydrogen content in deposited metal
PublikacjaOne of the methods with great potential for applications in underwater repairs is local cavity welding. In local cavity method, cooling conditions and diffusible hydrogen amount in weld metal are nearly the same as those existed during welding in the air. This paper presents the results of literature survey and preliminary tests of the effect of local cavity welding conditions on diffusible hydrogen amount in a deposited metal....
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Effect of temperature and composition on physical properties of deep eutectic solvents based on 2-(methylamino)ethanol – measurement and prediction
PublikacjaNovel deep eutectic solvents were synthesized using 2-(methylamino)ethanol as hydrogen bond donor with tetrabutylammonium bromide or tetrabutylammonium chloride or tetraethylammonium chloride as hydrogen bond acceptors. Mixtures were prepared at different molar ratios of 1:6, 1:8 and 1:10 salt to alkanolamine and then Fourier Transform Infrared Spectroscopy measurements were performed to confirm hydrogen bonds interactions between...
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Interspecies distances between propionic acid degraders and methanogens in syntrophic consortia for optimal hydrogen transfer
PublikacjaA mixed culture from an anaerobic biowaste digester was enriched on propionate and used to investigate interspecies hydrogen transfer in dependence of spatial distances between propionate degraders and methanogens. From 20.3 mM propionate, 20.8 mM acetate and 15.5 mM methane were formed. Maximum specific propionate oxidation and methane formation rates were 49 and 23 mmol mg−1day−1, respectively. Propionate oxidation was inhibited by...
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Hydrogen fuel cell power supply for hybrid elelectric multiple unit train
PublikacjaIn European countries, electrified routes amount for 40% to 65% of the total railway networks length. Some of those routes are only partially electrified, and construction of a catenary network might not be viable on all routes. Consequently, operators run diesel trains under catenary or require both an electric and diesel vehicle, increasing costs of operation. Dual-mode vehicles exist, but they are mostly equipped with diesel...
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Observation of the Hydrogen Migration in the Cation-Induced Fragmentation of the Pyridine Molecules
PublikacjaThe ability to selectively control chemical reactions related to biology, combustion, and catalysis has recently attracted much attention. In particular, the hydrogen atom relocation may be used to manipulate bond-breaking and new bond-forming processes and may hold promise for far-reaching applications. Thus, the hydrogen atom migration preceding fragmentation of the gas-phase pyridine molecules by the H+, H2+, He+, He2+, and...
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Application of H2O2 to optimize ammonium removal from domestic wastewater
PublikacjaThe paper presents the results of application of hydrogen peroxide (H2O2) for the optimization of the effects of ammonia nitrogen removal from domestic wastewater. The investigations were carried out at a model wastewater treatment plant consisting of a preliminary sedimentation tank and a sand filter with a horizontal flow of wastewater at a constant hydraulic load of 1.44 L/day. The efficiency of ammonia nitrogen removal was...
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ENVIRONMENTAL DEGRADATION OF DISSIMILAR AUSTENITIC 316L AND DUPLEX 2205 STAINLESS STEELS WELDED JOINTS
PublikacjaThe paper describes structure and properties of dissimilar stainless steels welded joints between duplex 2205 and austenitic 316L steels. Investigations were focused on environmentally assisted cracking of welded joints. The susceptibility to stress corrosion cracking (SCC) and hydrogen embrittlement was determined in slow strain rate tests (SSRT) with the strain rate of 2.2 × 10–6 s–1. Chloride-inducted SCC was determined in the...
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Configurational and Conformational Preferences in Stereoselective Acylations of N-Methyl-1,3-diaminopropane with Acyl Chlorides
PublikacjaEvidence for a stereoinduction profile of the reaction of N-methyl-1,3-diaminopropane with acyl chlorides was provided. A possibility to engage in intramol. CH2···HN and Cl···H-N interactions and the proton migration process to the methylamino group leads to the E secondary amides carrying the N···H+···N or N-H···N bridges, that show unusual spectroscopic images. Empirical relations between the ΔδC chem. shift differences,...
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Wet H2S corrosion and degradation of pipeline in amine regeneration system
PublikacjaThe paper presents the results of NDT examinations, metallographic tests and risk assessment of degradation related to corrosion of amine regeneration unit in a desulphurisation system. Intensive corrosion resulting from acid gases environment upon water condensation causes perforation of the pipeline. Detailed analysis reveals cracking related to the mechanism of wet H2S. Hydrogen penetration, resulting from the wet H2S process,...
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublikacjaDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublikacjaDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...