Центральная Научная Библиотека УрО РАН

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   A 10


    A computer study of the absorption of infrared radiation by systems of molecular clusters [Текст] / A. N. Novruzov, V. N. Chukanov, O. R. Rakhmanova, A. E. Galashev // High Temperature. - 2006. - Vol. 44, № 6. - С. 932-940

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR CLASTERS
Аннотация: The method of molecular dynamics is used to investigate the process of absorption of N₂O and CH₄ molecules by water clusters and to determine the frequency spectra of permittivity for systems consisting of clusters mixed in different ratios, namely, (H₂O)_n, (N₂O)_i(H₂O)₁₀, and (CH₄)_i(H₂O)₁₀. IR-radiation absorption spectra for these systems are calculated and analyzed; the radiation power scattered by these systems and the tangent of dielectric loss angle are determined. The inclusion of anharmonicity of phonon oscillation makes it possible to explain the origin of characteristic frequencies appearing in IR spectra of mixtures of cluster systems. The capture of molecules of greenhouse gases by an ultradisperse aqueous medium affects the ability of this medium to absorb terrestrial radiation, i.e., reduces the greenhouse effect.

\\\\Expert2\\NBO\\High Temperature\\2006, v.44, p.932.pdf
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   F 68


    Flicker-Noise in Superheated Liquid Jets / A. V. Reshetnikov, V. P. Skripov, V. P. Koverda, N. A. Mazheiko, A. V. Vinogradov // Heat Transfer Research. - 2004. - Vol. 35, № 1-2. - С. 59-66

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
BOILING-UP LIQUID -- CRITICAL MODES -- VAPOR FORMATION
Аннотация: Change of the shape of a boiling-up liquid jet flowing from a high-pressure vessel at high superheatings was investigated experimentally. Mechanisms of volumetric heterogeneous and homogeneous nucleation are distinguished and their connection with critical modes of outflow is determined. Results of the experimental study of recoil of boiling-up liquid jets in a thermodynamically strong nonequilibrium mode of outflow are presented. The dynamics of vapor content fluctuations is studied by a method of photometry of passed laser radiation. Fluctuations of pressure in a superheated liquid jet at various mechanisms of vapor formation are measured by a method of strain metering. It was found that in intense volumetric boiling-up of a superheated liquid jet the power spectrum of fluctuations has a low-frequency component (flicker-noise) which diverges according to the 1/f law. This effect is related to nonequilibrium phase transitions in the system

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   G 15

    Galashev, A. E.
    Computational study of interaction of bromine ions with clusters (O2)6(H2O)50 and (O3)6(H2O)50 [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova // High Temperature. - 2011. - Vol.49, №4. - P528-538

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
FLEXIBLE MOLECULES -- IR SPECTRUM -- MOLECULAR DYNAMICS
Аннотация: Abstract-Interaction of bromine ions with water clusters that have absorbed the molecules of oxygen and ozone is studied using a molecular-dynamics simulation of flexible molecules. The cases of location of Br-ions on the surface and in the bulk of the cluster are described. Water clusters with ozone molecules remain stable during their interaction with the Br - ions, while oxygen molecules are found to evaporate from the cluster when Br - ions appear in its bulk. In the presence of Br - ions, the infrared spectra of systems with O 3 molecules are observed to be intensified. The intensities of the IR spectra with O 2 molecules may both increase and decrease depending on the arrangement of the Br - ions. The Raman spectra are sensitive to the appearance of Br - ions only for systems that contain oxygen molecules. As a result of interaction with the Br-ions, the power of IR radiation emitted by the clusters can not only increase, but also decrease

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   G 15

    Galashev, A. E.
    Computer simulation of the cluster destruction of stratospheric ozone by bromine [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Chinese Physics B . - 2012. - Vol. 21, №11. - P113602

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
BROMINE IONS -- INFRARED AND RAMAN SPECTRA -- WATER CLUSTERS
Аннотация: The interaction of (Br -) iH 2O) 50-i, 0 ≤ i ≤ 6 clusters with oxygen and ozone molecules is investigated by the method of molecular dynamics simulation. The ozone molecules as well as the bromine ions do not leave the cluster during the calculation of 25 ps. The ability of the cluster containing molecular oxygen to absorb the infrared (IR) radiation is reduced in the frequency range of 0 ≤ ω ≤ 3500 cm -1 when the number of the bromine ions in the cluster grows. The intensity of the Raman spectrum is not changed significantly when the Br - ions are added to the ozone-containing system. The power of the emitted IR radiation is increased when the number of bromine ions grows in the oxygen-containing system. The data obtained in this study on the IR and the Raman spectra of the water clusters that contain ozone, oxygen, and Br - can be used to develop an investigation of the mechanisms of ozone depletion

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   G 15

    Galashev, A. E.
    Computer study of methane adsorption by water clusters [Electronic resource] / A. E. Galashev, O. R. Rakhmanova // High Temperature. - 2013. - Vol.51, №3. - P369-376. - Bibliogr. : p. 375-376 (36 ref.)

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
DIELECTRIC PERMITTIVITIES -- FREQUENCY DEPENDENCE -- HIGH-FREQUENCY MODE
Аннотация: Methane adsorption by water clusters including 50 molecules was studied by the molecular dynamics (MD) technique. The calculated frequency dependence of the real and imaginary parts of the dielectric permittivity points to the prevalence of a high-frequency mode in the spectra of these parameters after methane is adsorbed by water clusters. Such changes are also observed in the spectrum of the IR radiation absorption coefficient; however, the average value of this coefficient remains nearly the same. Methane adsorption causes a considerable increase in the reflection coefficient of the disperse water medium and the integrated power of IR radiation emission

\\\\expert2\\NBO\\High Temperature\\2013, v. 51, N 3, p.369-376.pdf
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10.

11.

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   G 15

    Galashev, A. E.
    Computer study of the effects of ozone absorption by an ultradisperse aqueous medium [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Journal of Engineering Physics and Thermophysics. - 2011. - Vol.84, №6. - P1231-1241

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
EMISSION-POWER SPECTRA -- INFRARED SPECTRA -- WATER CLUSTERS
Аннотация: The interaction of ozone molecules with water clusters at a temperature corresponding to the middle zones of the troposphere and the stratosphere has been studied by the molecular-dynamics method. It has been established that the integral intensities of the infrared absorption spectrum and the Raman spectrum of an ultradisperse aqueous system decrease substantially in absorption of ozone by it. It has been shown that in this case the emission power of the IR-radiation energy stored by the entire ozonized disperse aqueous medium grows

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12.

13.

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   G 15

    Galashev, A. E.
    Computer-assisted study of characteristics of water clusters in the presence of nitrogen dioxide / A. E. Galashev, O. R. Rakhmanova // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2010. - Vol. 72, № 4. - С. 478-485

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
IR RADIATION -- WATER CLUSTERS -- MOLECULAR DYNAMICS METHOD

\\\\Expert2\\NBO\\Colloid Journal\\2010, V.72, N 4, 478.pdf
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15.

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   G 15

    Galashev, A. E.
    Computer-assisted study of characteristics of water clusters in the presence of nitrogen dioxide [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2010. - Vol.72, №4. - P478-485

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
HEAT EMISSION -- HETEROCLUSTERS -- IR ABSORPTION
Аннотация: The interaction of IR radiation with water clusters that have absorbed NO 2 molecules is studied by the molecular dynamics method in terms of the polarizable model. Induced dipole moments of H 2O and NO 2 molecules diminish during the addition of one to six NO 2 molecules to (H 2O) 50 cluster. The integral intensity of IR absorption by a system consisting of (NO 2) i(H 2O) 50 heteroclusters with 1 ≤ i ≤ 6 decreases, whereas the power of heat emission rises as compared with an (H 2O) n system. The decrease in the IR absorption and the increase in the IR emission by water clusters with the capture of NO 2 molecules are nonmonotonic. The absorption of NO 2 molecules by water clusters causes a noticeable reduction in the intensity of the first peak and the confluence of the fourth and fifth peaks in the Raman spectrum

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16.

17.

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   G 15

    Galashev, A. E.
    Computer-assisted study of silver absorption by porous silicon dioxide nanoparticles [Электронный ресурс] / A. E. Galashev, V. A. Polukhin // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2011. - Vol.73, №6. - P761-767

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
IR ABSORPTION -- STRETCHING VIBRATIONS -- SURFACE GROUPS
Аннотация: The absorption of silver atoms by porous silicon dioxide particles is studied by the molecular dynamics method. Upon the absorption of silver atoms, (SiO 2) 50 nanoparticles do not increase their volume. A particle is divided into two unequal parts by an island shell formed from SiO 2 structural units, which causes anisotropy in the electrical and thermal conductivity of the nanocomposite. IR absorption and emission spectra, Raman spectra, as well as the number of electrons active with respect to IR radiation are calculated. The calculated absorption spectra show the mode corresponding to the stretching vibrations of Si-O surface groups. The addition of silver atoms to nanoparticles can enhance significantly the power of heat radiation emission

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18.

19.

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   G 15

    Galashev, A. E.
    Interaction of chloride ions with water clusters absorbing ozone: A computer experiment [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Russian Journal of Physical Chemistry B. - 2011. - Vol. 5, №2. - P197-208

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
INTERACTION -- THE CHLORIDE IONS -- WATER CLUSTERS
Аннотация: The molecular dynamics method is used to investigate the interaction of two, four, and six chloride ions with (H2O)50, clusters absorbing six ozone molecules. Chloride ions moving toward the cluster penetrate into it. The presence of ozone increases the residence time of Cl- ions in the cluster. The duration of the perturbation increases with the number of Cl- ions surrounding 6O3 + (H2O) 50 the system. The interaction with Cl- ions enhances the positional disorder of the molecules in the system and enhances the intensity of absorption and emission of infrared radiation. These changes, however, are not monotonic function of the number of ions perturbing the system. As a result of the interaction with Cl- ions, the integrated intensity of the Raman scattering on (O3)6 (H2O)50 the cluster in the frequency range 0 ≤ ω ≤ 1100 cm-1 is significantly lower and the number of peaks in the spectrum is smaller

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