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    Wyświetlanie 1-4 z 4
    Tytuł:
    Vibrational Spectroscopic and Computational Studies on Bis(2-aminopyridinium)fumarate - Fumaric Acid (1:1) Complex
    Autorzy:
    Kanagathara, N.
    Pawlus, K.
    Marchewka, M.
    Powiązania:
    https://bibliotekanauki.pl/articles/1029823.pdf
    Data publikacji:
    2018-01
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    2-aminopyridine
    fumaric acid
    DFT
    FT-IR
    FT-Raman
    Opis:
    The new vibrational and computational studies on bis(2-aminopiridinium) fumarate - fumaric acid (1:1) complex have been made. The molecular geometry, vibrational frequencies and intensities of vibrational bands have been interpreted with the aid of structure optimization based on density functional theory (B3LYP) method with 6-311++G(d,p) basis set. The highly occupied-lowly unoccupied molecular orbital energies and chemical reactivity of the molecule have been calculated with time-dependent density functional theory approach. Stability energies of the molecule have been studied using natural bond orbital analysis. The predicted nonlinear optical properties of the title compound are much greater that those of urea. In addition, the molecular electrostatic potential surfaces and thermodynamic properties were calculated.
    Źródło:
    Acta Physica Polonica A; 2018, 133, 1; 45-56
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Thermal decomposition behaviour of bis(4-nitrophenol)-2,4,6-triamino-1,3,5-triazine monohydrate
    Autorzy:
    Kanagathara, N.
    Marchewka, M.
    Anbalagan, G.
    Powiązania:
    https://bibliotekanauki.pl/articles/1065030.pdf
    Data publikacji:
    2016-06
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    83.60.St
    87.15.R-
    91.60.Ki
    82.20.Pm
    Opis:
    Thermal decomposition behavior of bis (4-nitrophenol)-2,4,6-triamino-1,3,5-triazine monohydrate (BNPM) has been studied by means of thermogravimetric analysis at three different heating rates 10, 15 and 20°C min¯¹. Non-isothermal studies of BNPM have revealed that the decomposition occurs in three stages involving dehydration and decomposition. The values of effective activation energy (E_{a}), pre-exponential factor (A) of each stage of thermal decomposition for all heating rates were calculated by model free methods: Arrhenius, Flynn-Wall, Friedman, Kissinger and Kim-Park method. A significant variation of effective activation energy (E_{a}) with conversion (α) indicates that the process is kinetically complex. The linear relationship between the A and E_{a} values was well established (compensation effect). Dehydration stage was governed by the Avrami-Erofeev model (A2) and decomposition stages were governed by the Avrami-Erofeev model (A4).
    Źródło:
    Acta Physica Polonica A; 2016, 129, 6; 1235-1241
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Kinetics and Mechanical Studies of Melaminium bis(trichloroacetate) dihydrate
    Autorzy:
    Kanagathara, N.
    Marchewka, M.
    Gunasekaran, S.
    Anbalagan, G.
    Powiązania:
    https://bibliotekanauki.pl/articles/1205304.pdf
    Data publikacji:
    2014-08
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    82.20.Pm
    65.40.-b
    82.20.-w
    62.20.Qp
    83.50.-v
    Opis:
    The thermal decomposition kinetics of melaminium bis(trichloroacetate) dihydrate (MTCA) has been studied by thermogravimetry and derivative thermogravimetry techniques using non-isothermal experiments at three different heating rates 10, 15, and 20°C $\text{min}^{-1}$. Non-isothermal studies of MTCA revealed that the decomposition occurs in three stages involving dehydration and decomposition. The apparent activation energy $(E_{a})$ and the pre-exponential factor (ln A) of each stage of thermal decomposition at various linear heating rates are calculated using Flynn-Wall, Friedman, Kissinger, and Kim-Park method. A significant variation of effective activation energy $(E_{a})$ with conversion $(α)$ indicates that the process is kinetically complex. The linear relationship between the A and $E_{a}$ values is well established (compensation effect). Isothermal kinetics of thermal decomposition of MTCA was found to obey Avrami-Erofeev's (A4) and power law (P3) equations. In addition to the above, mechanical properties have been estimated by Vicker's microhardness test for the grown crystal.
    Źródło:
    Acta Physica Polonica A; 2014, 126, 3; 827-832
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Studies on Structural, Dielectric, and Electrical Properties of a $Ni_{0.284}Zn_{0.549}Cu_{0.183}Fe_{1.984}O_4$ Piezomagnetic Material
    Autorzy:
    Balusamy, R.
    Kumaravel, P.
    Kanagathara, N.
    Gowri Shankar Rao, R.
    Renganathan, N.
    Powiązania:
    https://bibliotekanauki.pl/articles/1398351.pdf
    Data publikacji:
    2016-09
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    75.80.+q
    77.22.-d
    77.22.Gm
    68.37.Hk
    Opis:
    Piezomagnetic materials in composition $Ni_{0.284}Zn_{0.549}Cu_{0.183}Fe_{1.984}O_4$ were prepared by mixed oxide method at 1100°C. Powder X-ray diffraction studies confirm the crystalline nature of the synthesized $Ni_{0.284}Zn_{0.549}Cu_{0.183}Fe_{1.984}O_4$ piezomagnetic material. The crystallite size is calculated to be 19.332 μ m using the Debye-Scherrer formula. The surface morphology and particle size of the samples has been studied by scanning electron microscopy. The thermal stability and decomposition behaviour of $Ni_{0.284}Zn_{0.549}Cu_{0.183}Fe_{1.984}O_4$ piezomagnetic material have been studied by thermogravimetric analysis at a heating rate of 15°C/min. The effective activation energy of the prepared composite was calculated using single heating rate methods: Broido's and Coats-Redfern methods. Dielectric properties of $Ni_{0.284}Zn_{0.549}Cu_{0.183}Fe_{1.984}O_4$ piezomagnetic material have been studied in a wide range of frequencies and temperatures. The magnetic behavior of $Ni_{0.284} Zn_{0.549} Cu_{0.183} Fe_{1.984}O_4$ piezomagnetic material at room temperature has been confirmed by vibrational sample magnetometer studies.
    Źródło:
    Acta Physica Polonica A; 2016, 130, 3; 751-757
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-4 z 4

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