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    Wyświetlanie 1-7 z 7
    Tytuł:
    Influence of MoO3 on the Structure of Lithium Aluminum Phosphate Glasses
    Autorzy:
    Saddeek, Y. B.
    Abo-Naf, S. M.
    Powiązania:
    https://bibliotekanauki.pl/articles/176650.pdf
    Data publikacji:
    2012
    Wydawca:
    Polska Akademia Nauk. Czytelnia Czasopism PAN
    Tematy:
    phosphate glasses
    IR
    infrared spectra
    density
    elastic properties
    Opis:
    IR spectroscopy, density and ultrasonic velocity measurements have been carried out for aluminum lithium phosphate glasses with and without MoO3. The observed changes in the FTIR spectra of the glasses were related to the modifier/former role of molybdenum ions. The results revealed that the density increases with increasing MoO3 content, which was attributed to the increase in the compactness and packing of the glass network. The ultrasonic data were analyzed in terms of creation of new bonds of MoO3 attached to phosphate units. The new bonds increased the average crosslink density and the number of network bonds per unit volume along with a strengthening of the different modes of vibrations which in its turn increased the ultrasonic velocity, the rigidity and hence the elastic moduli of the glasses.
    Źródło:
    Archives of Acoustics; 2012, 37, 3; 341-347
    0137-5075
    Pojawia się w:
    Archives of Acoustics
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Inversion of Remote Sensing Data Using Multiple Ratios of Spectral Radiation Intensities and Neural Networks
    Autorzy:
    Cięszczyk, S.
    Powiązania:
    https://bibliotekanauki.pl/articles/1032310.pdf
    Data publikacji:
    2017-06
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    remote sensing
    infrared spectrometers
    infrared spectra
    computer modelling and simulation
    Opis:
    The article presents a method for determining the content and temperature on the basis of spectra from remote measurements. The technique uses measurements of a high resolution radiation spectrum that allows the visibility of the individual rotational lines of gases such as CO₂, used here in the range of 2470-2495 cm¯¹. At the same time a new algorithm is applied of pre-processing the spectrum, involving the use of multiple ratios of intensity at several wavenumbers as input to an inverse model based on neural networks. Due to it, the dimensionality of the input can significantly be reduced. Additionally, the data interpreted do not have to be measured in units of spectral radiance. Thus only the calibration of the sensitivity of the spectrometer at various wavelengths is required. The neural models were constructed on the basis of data from the simulation. The proposed method works with a uniform layer of radiating gas for determining the temperature and CO₂ content. For a non-uniform layer it is possible to determine the line-of-sight temperature profile and average gas content. The method can be extended to different spectral ranges and to other gases present in substantial quantities in the exhaust gases of various processes.
    Źródło:
    Acta Physica Polonica A; 2017, 131, 6; 1454-1459
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Infrared study of copper(II) complexes with pyridine-3-carboxamide derivatives in chloride media
    Autorzy:
    Borowiak-Resterna, A.
    Olszanowski, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/346901.pdf
    Data publikacji:
    2004
    Wydawca:
    Politechnika Bydgoska im. Jana i Jędrzeja Śniadeckich. Wydział Technologii i Inżynierii Chemicznej
    Tematy:
    infrared spectra
    solvent extraction
    copper(II)
    pyridine-3-carboxamide derivatives
    benzamide derivatives
    Opis:
    The extraction studies for copper(II) from chloride solutions by mono- and dialkyl derivatives of benzamide and pyridine-3-carboxamide show that the coordination of copper by amide groups is very weak, weaker than by chloride ions. N,N-dialkyl derivative of benzamide does not extract copper from chloride media but N-alkylbenzamide eliminates a small amount of copper (a great deal smaller than pyridine-3-carboxamide derivatives) only from diluted chloride aqueous solutions ([Cl-] < 0.1 M). Infrared studies of copper complexes with mono- and dialkylpyridine-3-carboxamides show that coordination of the ligand molecules to copper(II) ions takes place mainly by the pyridine nitrogen. More stable monoalkylpyridinecarboxamides complexes with CuCl2 are formed probably by intermolecular hydrogen bonds between monomeric molecules of CuCl2L2 complex (L – the amide). However, weak coordination of copper(II) by the amide group may take place.
    Źródło:
    Ars Separatoria Acta; 2004, 3; 105-113
    1731-6340
    Pojawia się w:
    Ars Separatoria Acta
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Silne wiązania wodorowe w kompleksach wybranych kwasów organicznych z tetrametylopirazyną
    Strong hydrogen bonds in selected complexes of organic acids with teramethylpyrazine
    Autorzy:
    Bator, G.
    Sobczyk, L.
    Powiązania:
    https://bibliotekanauki.pl/articles/171970.pdf
    Data publikacji:
    2011
    Wydawca:
    Polskie Towarzystwo Chemiczne
    Tematy:
    tetrametylopirazyna
    kwas chloranilowy
    kwas kwadratowy
    rentgenografia
    widma w podczerwieni
    widma rozpraszania neutronów
    tetramethylpyrazine
    chloranilic acid
    squaric acid
    X-ray diffraction
    infrared spectra
    neutron scattering spectra
    Opis:
    In the present review our interest is focused on the hydrogen bonded complexes of tetramethylpyrazine (TMP) with strong proton donors, in particular with chloranilic (CLA) or squaric (H2SQ) acid. The x-ray diffraction studies show that, depending on the proton donor, various assemblies with the acid are formed, e.g. the infinite O-H…N hydrogen bonded chains without proton transfer in the case of the complex with CLA. On the other hand with H2SQ the assemblies of [HSQ]2 2–-2TMPźH+ composition are created, in which the ionized HSQ–1 molecules are present in the form of dimers. These dimers are bound with the TMPźH+ cations on its both sides via the +N-H…O– hydrogen bonds. Picric acid forms with TMP the complex of the 2:1 composition with a double protonated TMP molecule. In the case of HI3 acid the interesting units of the (TMPźH+)2źTMP composition are formed, in which two TMPźH+ cations are coordinated with one TMP molecule through the +N-H…N bridges. In the infrared spectra of the TMP complexes, both with CLA and H2SQ, the similar absorption continua are observed. They can be interpreted in terms of an asymmetric potential for the proton motion, with either the double minimum or the single broad minimum potential for the CLA and H2SQ complexes, respectively. An analysis of the neutron scattering spectra concerns the phenomena of the tunneling splitting, quasielastic neutron scattering (QNS) and inelastic (INS) scattering. In the case of tunneling splitting neat TMP does not show any tunneling transitions in the ěeV energy region, because they are overlapped by the elastic scattering band. In the case of the TMPźCLA complex four tunneling transitions are seen corresponding to the four crystallographically nonequivalent CH3 groups in the TMP molecule. In the spectrum of the complex with squaric acid the observed two transitions are ascribed to the two different CH3 groups. The two remaining CH3 group tunneling transitions are overlapped by the elastic scattering. The measurements in various low temperature ranges yield information about the shape of the CH3 group rotational potential. The shape of the potential is also reflected in the spectra of quasielastic scattering. In particular the temperature dependence of the quasielastic band allows us to find the activation energy for the CH3 rotations. Finally the inelastic neutron scattering spectra are analyzed in the energy range of the CH3 torsional modes (below 200 cm–1 = 25 meV). The analysis shows that for the complexes the torsional vibration frequencies are markedly lower than those for neat TMP. In the case of the TMPźCLA complex frequencies found are particularly low. They are close to the frequencies calculated for the TMP+ cation. A general conclusion can be drawn that in the complexes the CH3 groups behave more loosely than in neat TMP.
    Źródło:
    Wiadomości Chemiczne; 2011, 65, 9-10; 869-885
    0043-5104
    2300-0295
    Pojawia się w:
    Wiadomości Chemiczne
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Parameters of Organic Matter of Soil in the Cultivation of Miscanthus sacchariflorus
    Parametry materii organicznej gleby pod uprawą trawy Miscanthus sacchariflorus
    Autorzy:
    Dębska, B.
    Kalembasa, D.
    Gonet, S.
    Powiązania:
    https://bibliotekanauki.pl/articles/388159.pdf
    Data publikacji:
    2013
    Wydawca:
    Towarzystwo Chemii i Inżynierii Ekologicznej
    Tematy:
    Miscanthus sacchariflorus
    sewage sludge
    organic matter
    infrared (IR) spectra
    HPLC
    13C NMR
    osady ściekowe
    materia organiczna
    widma IR
    Opis:
    Selected properties of organic matter in the humus horizon of soil fertilised with sludge at 10, 20 and 30 Mg ha–1 and with mineral fertilisers (NPK), were examined in the third year after harvesting biomass of Miscanthus sacchariflorus. The following were analysed: TOC, Nt in the soil; the following were analysed in the humic acids isolated from samples – elemental composition, atomic ratios, degree of internal oxidation, absorption coefficient, hydrophilic and hydrophobic properties, IR and 13C NMR spectra (the latter two were used for determination of carbon species). The organic carbon content was found to increase in the pot fertilised with the largest dose of the sludge fertiliser (30 Mg ha–1), while the nitrogen content increased in all the pots fertilised with the organic waste material, as compared with the control pot. Humic acids, isolated from the pots fertilised with sludge and mineral fertilisers (NPK), were found to have a higher degree of internal oxidation. The variance of the other quality parameters of those acids was not significant. Fertilisation with sludge did not significantly affect the properties of humic acids in the third year of cultivation of the test grass, which is important regarding the balance of the soil.
    Badano wybrane właściwości materii organicznej poziomu próchnicznego gleby nawożonej osadem ściekowym w dawce 10, 20 i 30 Mg ha–1 oraz mineralnie NPK, w trzecim roku po zbiorze biomasy trawy Miscanthus sacchariflorus. Analizowano: Corg, Nt w glebie, a w wydzielonych kwasach huminowych – skład pierwiastkowy, stosunki atomowe, stopień utlenienia wewnętrznego, wartość współczynnika absorpcji, właściwości hydrofilowo-hydrofobowe, widma w zakresie podczerwieni (IR) oraz 13C NMR i na ich podstawie określono formy węgla. Stwierdzono zwiększenie zawartości węgla związków organicznych na obiekcie nawożonym największą dawką osadu ściekowego (30 Mg ha–1), a azotu na wszystkich obiektach nawożonych tym odpadowym materiałem organicznym, w stosunku do obiektu kontrolnego. Kwasy huminowe materii organicznej wydzielone z gleby obiektów nawożonych osadem ściekowym i mineralnie NPK cechowały się wyższymi wartościami stopnia utlenienia wewnętrznego. Zróżnicowanie pozostałych parametrów jakościowych tych kwasów nie było jednoznaczne. Nawożenie osadem ściekowym nie wpłynęło istotnie na zmianę właściwości kwasów huminowych w trzecim roku uprawy trawy testowej, co jest ważne z punktu widzenia stanu równowagi nawożonej gleby.
    Źródło:
    Ecological Chemistry and Engineering. A; 2013, 20, 2; 193-202
    1898-6188
    2084-4530
    Pojawia się w:
    Ecological Chemistry and Engineering. A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Modelling of spectra with and without dust from Martian surface based on infrared data
    Modelowanie widm zapylonych i niezapylonych znad marsjańskich powierzchni na podstawie pozyskanych widm w podczerwieni
    Autorzy:
    Zalewska, N.
    Powiązania:
    https://bibliotekanauki.pl/articles/213060.pdf
    Data publikacji:
    2016
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Lotnictwa
    Tematy:
    Mars
    deconvolution algorithm
    infrared spectrometry
    Martian dust
    spectra modelling
    algorytm dekonwolucji
    spektrometria w podczerwieni
    pył marsjański
    modelowanie widm
    Opis:
    This article aims to show mineral composition of Mars surface based on TES spectra (Thermal Emission Spectrometer-Mars Global Surveyor), measured in infrared thermal range. It presents how, based on TES data, spectra from selected Martian regions were modelled and interpreted after prior removal of atmospheric influences from the spectra using the Radiative Transfer Algorithm and Deconvolution Algorithm. The spectra from dark area of Cimmeria Terra and light Isidis Planitia were elaborated in cited publications. In the case of light areas ex. Arsia Mons, spectrum of dusty weathered surface of Mars was obtained (also after removal of atmospheric influences) from averaging spectra of dusty regions of Mars. Those aforementioned spectra were used in modelling Martian surface aiming to determine their mineral composition. Deconvolution Algorithm was chosen from the mentioned methods as a tool for the modelling. The spectra described above were used for the Martian surface modelling, such as the Hellas Basin and Martian meteorites SNC (Shergottites, Nakhlites, Chassignites), in order to determine their mineral composition. As a modelling tool one of the following methods of deconvolution algorithm can be chosen. Spectra for the modelling were obtained from the PFS spectrometer (Planetary Fourier Spectrometer) - (Mars Express) and mineralogical composition of basalts from the southern part of Poland were used for this purpose. The method of modelling which was used to determine the mineral composition of Mars and dust can be used in determining mineral composition of selected areas on the Earth from aerial and satellite levels, e.g., soil and vegetation with the use of spectral libraries and spectra of individual plant species.
    Artykuł opisuje próbę przybliżenia składu mineralogicznego powierzchni Marsa na podstawie gotowych widm z TES (Thermal Emission Spectrometer-Mars Global Surveyor), zmierzonych w podczerwieni, w zakresie termalnym. Przedstawione tu będzie, jak na podstawie danych z TES zostały modelowane i zinterpretowane widma z wybranych terenów Marsa po uprzednim oddzieleniu wkładu atmosfery od całości widma, algorytmami: transferu promieniowania (Radiative Transfer Algorithm) i dekonwolucji (Deconvolution Algorithm). W cytowanych publikacjach opracowano widma z ciemnego obszaru Cimmeria Terra i obszaru jasnego - Isidis Planitia . W przypadku obszarów jasnych, przykładowo obszar Arsia Mons, widmo zapylonej i zwietrzałej powierzchni Marsa zostało uzyskane (również po oddzieleniu wpływu atmosfery) z uśrednienia widm pochodzących z terenów o wysokim zapyleniu. Te opisane powyżej widma zostały wykorzystane do modelowania powierzchni marsjańskich, takich jak basen Hellas oraz meteoryty marsjańskie SNC, w celu ustalenia ich składu mineralnego. Jako narzędzie modelowania wybrano jedną z wymienionych metod Deconvolution Algorithm. Widma do własnego modelowania były pozyskane ze spektrometru PFS (Planetary Fourier Spectrometer)-(Mars Express) oraz wykorzystano w tym celu skład mineralogiczny bazaltów z południowej części Polski.
    Źródło:
    Prace Instytutu Lotnictwa; 2016, 4 (245); 287-308
    0509-6669
    2300-5408
    Pojawia się w:
    Prace Instytutu Lotnictwa
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Spektroskopia NIR - modelowanie kwantowo-mechaniczne widm jako narzędzie w badaniach podstawowych i wsparcie zastosowań analitycznych
    NIR spectrometry - spectra simulation as a potent tool in basic research and analytical applications
    Autorzy:
    Beć, Krzysztof B.
    Grabska, Justyna
    Powiązania:
    https://bibliotekanauki.pl/articles/27310036.pdf
    Data publikacji:
    2023
    Wydawca:
    Polskie Towarzystwo Chemiczne
    Tematy:
    modelowanie kwantowo-mechaniczne widm
    spektroskopia absorpcyjna w zakresie bliskiej podczerwieni (NIR)
    interpretacja widm
    nadtony
    pasma drgań kombinacyjnych
    przypisania pasm
    spectra simulation
    near-infrared (NIR)
    spectra interpretation
    overtones
    combination bands
    band assignments
    Opis:
    Near-infrared (NIR) spectroscopy is a powerful technique that has been extensively used for the qualitative and quantitative analysis of a broad range of chemical compounds in various fields, such as pharmaceuticals, food, and environmental monitoring. However, the interpretation of NIR spectra is often challenging due to the complex line shape and overlapping signals that make it difficult to assign the bands to specific molecular vibrations. In recent years, significant advancements in theoretical methods have enabled the calculation of NIR spectra for a variety of molecules, paving the way for the integration of computational chemistry and NIR spectroscopy. This emerging field offers a wealth of opportunities to improve our understanding of the spectral features and to provide detailed molecular fingerprints that are essential for fundamental research and practical applications. Accurate simulation of NIR bands unlocks new potential in exploring the solvent effect or intermolecular interactions, in which cases interpreted overtones and combination bands provide unique information, complementary to that extracted from the fundamental bands observed in mid-infrared (MIR) region. In the area of applications, by reproducing the spectra of molecules with complex structures, theoretical calculations can provide new physical insights into the nature of the vibrational modes that contribute to the spectral signals. This knowledge can be used to improve the accuracy and reliability of chemometric models that are commonly used in quantitative analysis.
    Źródło:
    Wiadomości Chemiczne; 2023, 77, 7-8; 719--743
    0043-5104
    2300-0295
    Pojawia się w:
    Wiadomości Chemiczne
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-7 z 7

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