Wyniki wyszukiwania dla: HYDROGELS
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Hydrogen bonding part sigma profile of deep eutectic solvents and pure components
Dane BadawczeThe set includes raw data of hydrogen bonding part sigma profiles of deep eutectic solvents and pure components generated by the ADF COSMO-RS software (SCM, Netherlands).
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The hydrogen evolution reaction (HER) performance of some FTO/MoS2/SnO2 electrodes
Dane BadawczeTo demonstrate the electrochemical performance of the FTO/MoS2/SnO2 for HER (hydrogen evolution reaction), the LSV (linear sweep voltammetry) was performed. The polarization curves of the obtained composite were measured in 1 M H2SO4 at room temperature with a scan rate 10 mV/s. For comparison, the LSV for the FTO, pure MoS2 and Pt plate electrode were...
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Activation of peroxymonosulfate using carbon black nano-spheres/calcium alginate hydrogel matrix for degradation of acetaminophen: Fe3O4 co-immobilization and microbial community response
PublikacjaHerein, we focused on the degradation of acetaminophen (ACT) drug in liquid phase by peroxymonosulfate (PMS) activated by carbon black nano-spheres (CBNS). The nanostructured activator was immobilized into calcium alginate hydrogel matrix (CAHM) to avoid the washout of the fine nanostructures. The Langmuir modeling showed an insignificant contribution to the adsorption process in the removal of ACT. The basic pH conditions favored...
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Promotion of Photocatalytic Hydrogen Evolution under Visible Light with NiO/C Fabricated via a Super Facile and General Strategy
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Sustainable Livestock Production: Screening Analysis and Pilot Implementation of a Biofilm in Piggery Biofilters for Mitigation of Ammonia and Hydrogen Sulfide Emissions
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Numerical Modeling of Hydrogen-Rich Gas Production From Gasoline Autothermal Reforming in a Plug Flow Reactor for Electric Vehicles
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Unraveling the solar and visible light-induced deactivation mechanism of Pt-decorated carbon/TiO2 nanocomposite in photocatalytic hydrogen production
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Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N'-bis(2-pyridyl)aryldiamines
PublikacjaOtrzymano pięć krystalicznych kompleksów fenazyny z N,N'-bis(2-pirydylo)arylodiaminami i N'N'-difenylo-1,4-diamino-benzenem o różnej stechiometrii. Badania struktur tych kompleksów za pomocą metod rentgenograficznych wykazały, że powiązane wiązaniami wodorowymi typu NH...N cząsteczki fenazyny i arylodiamin układają się w stosy, które stabilizowane są poprzez oddziaływaniami typu π-π płaszczyzna-krawędź pierścieni aromatycznych....
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Positron collisions with molecular hydrogen: cross sections and annihilation parameters calculated using theR-matrix with pseudo-states method
PublikacjaThe molecular R-matrix with pseudo-states (MRMPS) method is employed to study positron collisions with H2. The calculations employ pseudo-continuum orbital sets containing up to h (l = 5) functions. Use of these high l functions is found to give converged eigenphase sums. Below the positronium formation threshold, the calculated cross sections agree with other high-accuracy theories and generally with the measurements. Calculation...
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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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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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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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Gentiana asclepiadea exerts antioxidant activity and enhances DNA repair of hydrogen peroxide- and silver nanoparticles-induced DNA damage
PublikacjaExposure to high levels of different environmental pollutants is known to be associated with induction of DNA damage in humans. Thus DNA repair is of great importance in preventing mutations and contributes crucially to the prevention of cancer. In our study we have focused on quantitative analysis of Gentiana asclepiadea aqueous or methanolic extracts obtained from flower and haulm, their antioxidant potency in ABTS post-column...
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Aryl-perfluoroaryl stacking interactions: hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N'-diaryloxalamides
PublikacjaOtrzymano kilka struktur supramolekularnych N,N'-diarylooksamidów z silnymi donorami protonów tj. pentafluorofenolem (pfp) i kwasem pentafluorobenzoesowym (pfba), w celu zilustrowania roli współdziałania wiązań wodorowych i oddziaływań pi-elektronowych w tworzeniu uporządkowanych faz stałych. Wprowadzenie do struktury oksamidów objętościowych podstawników arylowych utrudniało tworzenie występujących pomiędzy cząsteczkami oksamidów...
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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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The electrical conductivity of pristine, La-, and Nb-doped SFM measured in air and hydrogen atmospheres
Dane BadawczeThis dataset consists of an Excel sheet with the result of DC4W method of electrical measurements. The measurements were conducted on pristine strontium ferrite molubdate as well as ones doped with La and Nb. Additionally two samples co-doped with La and Ni/Co were analyzed. Pellets were prepared by high temperature sintering at 1400 deg. C, then cut...
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublikacjaThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Maximizing Bio-Hydrogen and Energy Yields Obtained in a Self-Fermented Anaerobic Bioreactor by Screening of Different Sewage Sludge Pretreatment Methods
PublikacjaEgypt faces significant challenges in managing its sewage sludge generated in large quantities from wastewater treatment plants. This study investigates the feasibility of utilizing sewage sludge as a renewable resource for hydrogen production through anaerobic digestion at the 100 L bioreactor level. Hydrogen is considered a promising alternative energy source due to its high energy content and environmental benefits. To optimize...
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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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An integral-differential method for impedance determination of the hydrogen oxidation process in the presence of carbon monoxide in the proton exchange membrane fuel cell
PublikacjaThe impedance of a proton exchange membrane fuel cell powered by hydrogen contaminated with carbon monoxide, ranging from 150 to 300 ppb, is measured and discussed. The tested range of CO concentration complied with the fuel standard specified in the ISO standards. Studies of influence of CO contamination on operation of PEMFC are crucial for further development and commercialization of fuel cells for automotive applications. Based...
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Cathodic activation of synthesized highly defective monoclinic hydroxyl‐functionalized ZrO2 nanoparticles for efficient electrochemical production of hydrogen in alkaline media
PublikacjaThe high electrochemical stability of Zirconia (ZrO2) at high potentials strongly suggested it as an alternative to carbon supports, which experience reduced efficiency due to some corrosion problems particularly during prolonged electrocatalysis activity. However, the use of ZrO2 was limited by its low electrical conductivity and surface area. In this work, we developed a methodology for synthesizing monoclinic ZrO2 NPs with increased...
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Degradation Efficiency and Kinetics Analysis of an Advanced Oxidation Process Utilizing Ozone, Hydrogen Peroxide and Persulfate to Degrade the Dye Rhodamine B
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Cathodic Activation of Titania-Fly Ash Cenospheres for Efficient Electrochemical Hydrogen Production: A Proposed Solution to Treat Fly Ash Waste
PublikacjaFly ash (FA) is a waste product generated in huge amounts by coal-fired electric and steam-generating plants. As a result, the use of FA alone or in conjunction with other materials is an intriguing study topic worth exploring. Herein, we used FA waste in conjunction with titanium oxide (TiO2) to create (FA-TiO2) nanocomposites. For the first time, a cathodic polarization pre-treatment regime was applied to such nanocomposites...
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Wpływ mikrostruktury stali o podwyższonej wytrzymałości na niszczenie wodorowe = Influence o higher strength steel microstructure on hydrogen destruction
PublikacjaW artykule przedstawiono niszczenie wodorowe stali 18G2A i jej symulowanej strefy wpływu ciepła (SWC). Jako parametry niszczenia wodorowego wybrano względne wartości energii zniszczenia, wydłużenia, przewężenia i wytrzymałości na rozciąganie. Parametry te wyznaczono w próbie odkształcania z małą prędkością na próbkach okrągłych gładkich. Stwierdzono, że stal 18G2A w środowisku kwaśnym podczas polaryzacji katodowej jest bardziej...
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Cathodically activated Au/TiO2 nanocomposite synthesized by a new facile solvothermal method: An efficient electrocatalyst with Pt-like activity for hydrogen generation
PublikacjaWe report here a facile, template-free and one-step solvothermal approach for the synthesis of high-temperature stable gold/titania nanocomposite (NCs), providing a new, simple, quick and inexpensive wet-chemical route. Our approach is based on the assembly of gold salt and titanium butoxide in dimethyl sulfoxide (DMSO). Also, we present here, for the first time, a cathodically activated Au/TiO2 catalyst with Pt/C activity for...
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Electron Density from Balmer Series Hydrogen Lines and Ionization Temperatures in Inductively Coupled Argon Plasma Supplied by Aerosol and Volatile Species
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Improved electrocatalytic response toward hydrogen peroxide reduction of sulfanyl porphyrazine/multiwalled carbon nanotube hybrids deposited on glassy carbon electrodes
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An enhanced electrochemical nanohybrid sensing platform consisting of reduced graphene oxide and sulfanyl metalloporphyrazines for sensitive determination of hydrogen peroxide and l -cysteine
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Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation
PublikacjaHydrogen production from methanol decomposition to syngas (H2 + CO) is a promising alternative route for clean energy transition. One major challenge is related to the quest for stable, cost-effective, and selective catalysts operating below 400 °C. We illustrate an investigation of the surface reactivity of a Ni3Sn4 catalyst working at 250 °C, by combining density functional theory, operando X-ray absorption spectroscopy, and high-resolution...
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Diiodo-BODIPY Sensitizing of the [Mo3S13]2– Cluster for Noble-Metal-Free Visible-Light-Driven Hydrogen Evolution within a Polyampholytic Matrix
PublikacjaWe report on a photocatalytic setup that utilizes the organic photosensitizer (PS) diiodo-BODIPY and the non-precious-metal-based hydrogen evolution reaction (HER) catalyst (NH4)2[Mo3S13] together with a polyampholytic unimolecular matrix poly(dehydroalanine)-graft-poly(ethyleneglycol) (PDha-g-PEG) in aqueous media. The system shows exceptionally high performance with turnover numbers (TON > 7300) and turnover frequencies (TOF...
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Gordon decomposition of the static dipole polarizability of the relativistic hydrogen-like atom: application of the Sturmian expansion of the first-order Dirac-Coulomb Green function.
PublikacjaWyprowadzono analityczne wyrażenie dla statycznej polaryzowalności dipolowej relatywistycznego atomu jednoelektronowego w stanie podstawowym. Dokonano rozkładu Gordona polaryzowalności. Pokazano, że polaryzowalność ma charakter czysto konwekcyjny.
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Experimental and DFT insights into an eco-friendly photocatalytic system toward environmental remediation and hydrogen generation based on AgInS2 quantum dots embedded on Bi2WO6
PublikacjaBismuth tungstate (Bi2WO6) can work as a photocatalyst but suffers from rapid recombination of photogenerated charge carriers. Herein, density functional theory (DFT) simulations revealed that the formation of a thermodynamically stable AgInS2(112)/Bi2WO6(010) heterojunction could promote charge separation and enhance the photoactivity of Bi2WO6. To confirm these theoretical predictions, a new type of photocatalysts in the form...
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LSD1-, EDS1- and PAD4-dependent conditional correlation among salicylic acid, hydrogen peroxide, water use efficiency and seed yield inArabidopsis thaliana
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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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The influence of the size of a one-faced metallic head in Janus nanoparticles as a co-catalyst on the photocatalytic efficiency of hydrogen evolution under vis light irradiation
PublikacjaJanus nanoparticles (NPs) consisting of MoOxSy nanospheres and silver (Ag) head, successfully developed by a simple, controlled method were in the first time they were applied as a co-catalysts in photocatalytic hydrogen generation reaction under vis light irradiation (λ > 420 nm). The MoOxSy-Ag as a co-catalysts were deposited on the obtained ZnIn2S4 microspheres (ZIS) using physical absorption method. The influence of the size...
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Bartosz Dawidowicz dr inż.
OsobyAbsolwent Wydziału Budowy Maszyn Politechniki Gdańskiej Mgr inż. - Wydział Budowy Maszyn Politechniki Gdańskiej: specjalizacja: Maszyny i Urządzenia Przemysłu Spożywczego (2000)Dr - Wydział Budowy Maszyn Politechniki Gdańskiej, dyscyplina: budowa i eksploatacja maszyn, specjalność: wymiana ciepła (2008) Zainteresowania naukowe dotyczą m.in. technik wodorowych – ogniwa paliwowe, wykorzystanie wodoru na cele energetyczne, odnawialnych...
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DMSO hydration redefined: Unraveling the hydrophobic hydration of solutes with a mixed hydrophilic–hydrophobic characteristic
PublikacjaHydrophobic hydration of solutes with a mixed hydrophilic--hydrophobic characteristics is still poorly understood. This is because both experimental and theoretical methods find it difficult to see the ice-like water structure around the nonpolar solute groups, unlike hydrogen bonds with the hydrophilic groups. In order to unravel this problem, we have investigated DMSO hydration by means of infrared spectroscopy and theoretical...
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Electric and magnetic dipole shielding constans for the ground state of the relativistic hydrogen-like atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublikacjaStosując rozwinięcie sturmowskie funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla stałych ekranowania elektrycznego i magnetycznego relatywistycznego atomu wodoropodobnego w stanie podstawowym.
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Capping ligand initiated CuInS2 quantum dots decoration on, ZnIn2S4 microspheres surface under different alkalinity levels resulting in different hydrogen evolution performance
PublikacjaSurface distribution of quantum dots (QDs) at the semiconductor matrix caused by synthesis condition (e.g. pH of solution during coupling) could lead to different photocatalytic activity. Thus, achieving an optimal covering of semiconductor matrix by QDs has been challenging. Herein, the influence of the alkalinity level of aqueous decoration medium for the coupling of mercaptoundecanoic acid (MUA) capped CuInS2 quantum dots (CIS)...
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A new look at two polymorphic crystal structures of dibenzoylmethane: relationship between the crystal packing and the hydrogen atom position revealed by quantum chemistry and quantum crystallography methods
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Susceptibility of Cr-Ni-Mn steel to the hydrogen degradation in boiler fuel = Podatnośc stali Cr-Mn-Ni na niszczenie wodorowe w paliwie kotłowym
PublikacjaStal 34HNM poddana różnym obróbkom cieplnym wykazała skłonność do korozji naprężeniowej w pomiarach ze stałą niską szybkością rozciągania i do zmęczenia korozyjnego niskocyklowego. Mechanizmem zniszczenia była degradacja wodorowa. Możliwe źródła pochłaniania wodoru to: korozja, degradacja węglowodorów z tworzeniem się kwasów organicznych i promotorów wnikania wodoru.
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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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Magnetic field-induced electric quadrupole moment in the ground state of the relativistic hydrogen-like atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublikacjaStosując rozwinięcie sturmowskie funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla elektrycznego momentu kwadrupolowego, indukowanego przez zewnętrzne pole magnetyczne w relatywistycznym atomie wodoropodobnym w stanie podstawowym. Wykazano, że jest to efekt czysto relatywistyczny.
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A comparative study on the decolorization of Tartrazine, Ponceau 4R, and Coomassie Brilliant Blue using persulfate and hydrogen peroxide based Advanced Oxidation Processes combined with Hydrodynamic Cavitation
PublikacjaDecolorization of Ponceau 4R, Tartrazine, and Coomassie Brilliant Blue (CBB) was studied using hybrid processes of hydrodynamic cavitation (HC) with potassium persulfate (KPS) and hydrogen peroxide (H2O2). The different properties of these dyes such as hydrophobicity, molecular structures, and molecular weights provided this opportunity to investigate the effects of these factors by comparing the decolorization values of the dyes....
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Szymon Mania dr inż.
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Jacek Tomków dr hab. inż.
OsobyWykształcenie:1. 2018 r.Doktor inżynier - Politechnika Gdańska, Wydział Mechaniczny, Inżynieria Materiałowa,rozprawa doktorska: Wpływ warunków spawania pod wodą na skłonność do tworzenia pęknięć zimnych w stalach o podwyższonej wytrzymałości 2. 2012 r.Magister inżynier - Politechnika Gdańska, Wydział Mechaniczny, Mechanika i Budowa Maszyn, specjalność: Technologia Maszyn i Komputerowe Wspomaganie Produkcji,praca magisterska: Badania...
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Photocatalytic hydrogen evolution from glycerol-water mixture under visible light over zinc indium sulfide (ZnIn2S4) nanosheets grown on bismuth oxychloride (BiOCl) microplates
PublikacjaZnIn2S4 (ZIS) is one of the widely studied photocatalyst for photocatalytic hydrogen evolution applications due to its prominent visible light response and strong reduction ability. However, its photocatalytic glycerol reforming performance for hydrogen evolution has never been reported. Herein, the visible light driven BiOCl@ZnIn2S4 (BiOCl@ZIS) composite was synthesized by growth of ZIS nanosheets on a template-like hydrothermally...
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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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Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets
Dane BadawczeThis dataset consists of Full CI ground state Born-Oppenheimer potential energy curves and one-electron relativistic corrections for hydrogen dimer. Nonrelativistic energies, as well as one electron relativistic corrections (treated perturbatively with help of the Cowan-Griffin Hamiltonian) are presented for internuclear distances between 0.8 and 10...