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Каталог книг и продолжающихся изданий
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Каталог препринтов УрО РАН (1975 г. - )
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Труды Института высокотемпературной электрохимии УрО РАН
Труды Института истории и археологии УрО РАН
Труды сотрудников Института горного дела УрО РАН
Труды сотрудников Института органического синтеза УрО РАН
Труды сотрудников Института теплофизики УрО РАН
Труды сотрудников Института химии твердого тела УрО РАН
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Труды сотрудников ЦНБ УрО РАН
Публикации Черешнева В.А.
Публикации Чарушина В.Н.
Каталог библиотеки ИЭРиЖ УрО РАН
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1.
Инвентарный номер: нет.
   
   C 73

   
    Computer simulation of oxygen and nitrate ion absorption by water clusters [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova, A. A. Galasheva, A. N. Novruzov // Colloid Journal (Translation of Kolloidnyi Zhurnal)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
AQUEOUS SYSTEM -- DIELECTRIC PERMITTIVITIES -- FLEXIBLE MOLECULES
Аннотация: Using the molecular dynamics method, the joint absorption of oxygen and nitrate ions by water clusters is studied in terms of the polarizable model of flexible molecules. Significant fluctuations are observed in the number of hydrogen bonds in the clusters during the addition of MO 3 -ions to water-oxygen aggregates. Dielectric permittivity noticeably changes upon the addition of O 2 molecules to water clusters and nitrate ions to oxygen-containing water clusters. After the absorption of oxygen molecules and nitrate ions, water clusters markedly lose the ability to IR absorption. The Raman spectrum of a medium formed from disperse aqueous system, oxygen, and nitrate ions displays a greater number of bands than the spectrum of a system of pure water clusters

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2.
Инвентарный номер: нет.
   
   C 73

   
    Computer simulation of oxygen and nitrate ion absorption by water clusters [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova, A. A. Galasheva, A. N. Novruzov // Colloid Journal (Translation of Kolloidnyi Zhurnal)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
AQUEOUS SYSTEM -- DIELECTRIC PERMITTIVITIES -- FLEXIBLE MOLECULES
Аннотация: Using the molecular dynamics method, the joint absorption of oxygen and nitrate ions by water clusters is studied in terms of the polarizable model of flexible molecules. Significant fluctuations are observed in the number of hydrogen bonds in the clusters during the addition of MO 3 -ions to water-oxygen aggregates. Dielectric permittivity noticeably changes upon the addition of O 2 molecules to water clusters and nitrate ions to oxygen-containing water clusters. After the absorption of oxygen molecules and nitrate ions, water clusters markedly lose the ability to IR absorption. The Raman spectrum of a medium formed from disperse aqueous system, oxygen, and nitrate ions displays a greater number of bands than the spectrum of a system of pure water clusters

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3.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Emissivity of the main greenhouse gases [Electronic resource] / A. E. Galashev, O. R. Rakhmanova // Russian Journal of Physical Chemistry B. - 2013. - Vol.7, №3. - P346-353. - Bibliogr. : p. 353 (18 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ABSORPTION AND EMISSION SPECTRA -- GREENHOUSE GASES -- IR ABSORPTION
Аннотация: Based on the high-resolution data on the absorption lines of gases from the HITRAN open inter-national database in conjunction with inverse Fourier transform, the autocorrelation function of the total dipole moment of the molecules of the main greenhouse gases, such as H2O, CO2, O3, N2O, and CH4, are determined. The spectral absorption coefficient and spectral radiance of these gases in the investigated IR region is calculated. An analysis of the emissivity of each of the gases is performed. An efficiency criterion of IR absorption and emission is introduced, according to which the studies gases are ranked

\\\\expert2\\NBO\\Russian Journal of Physical Chemistry B\\2013, v. 7, N 3, p. 346.pdf
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4.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Temperature changes of the optical properties of (SiO2) n, (GaAs) m, and (SiO2) n (GaAs) m nanoparticles: Computer experiment [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // High Temperature. - 2013. - Vol.51, №1. - P97-105
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
GALLIUM ARSENIDE -- PERMITTIVITY -- SEMICONDUCTING GALLIUM
Аннотация: The optical properties of silicon dioxide and gallium arsenide nanoparticles and the four-component particles based on them were calculated by the molecular dynamics method. The complex dielectric permittivity, infrared and Raman spectra, refractive index, and absorption coefficient of these nano particles were determined. The temperature dependences of the infrared and Raman spectra and the number of the optically active electrons in the nanoparticles composed of a semiconductor and/or a dielectric were investigated

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5.
Инвентарный номер: нет.
   
   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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6.
Инвентарный номер: нет.
   
   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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7.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Emissivity of the main greenhouse gases [Electronic resource] / A. E. Galashev, O. R. Rakhmanova // Russian Journal of Physical Chemistry B. - 2013. - Vol.7, №3. - P346-353. - Bibliogr. : p. 353 (18 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ABSORPTION AND EMISSION SPECTRA -- GREENHOUSE GASES -- IR ABSORPTION
Аннотация: Based on the high-resolution data on the absorption lines of gases from the HITRAN open inter-national database in conjunction with inverse Fourier transform, the autocorrelation function of the total dipole moment of the molecules of the main greenhouse gases, such as H2O, CO2, O3, N2O, and CH4, are determined. The spectral absorption coefficient and spectral radiance of these gases in the investigated IR region is calculated. An analysis of the emissivity of each of the gases is performed. An efficiency criterion of IR absorption and emission is introduced, according to which the studies gases are ranked

\\\\expert2\\NBO\\Russian Journal of Physical Chemistry B\\2013, v. 7, N 3, p. 346.pdf
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8.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Temperature changes of the optical properties of (SiO2) n, (GaAs) m, and (SiO2) n (GaAs) m nanoparticles: Computer experiment [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // High Temperature. - 2013. - Vol.51, №1. - P97-105
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
GALLIUM ARSENIDE -- PERMITTIVITY -- SEMICONDUCTING GALLIUM
Аннотация: The optical properties of silicon dioxide and gallium arsenide nanoparticles and the four-component particles based on them were calculated by the molecular dynamics method. The complex dielectric permittivity, infrared and Raman spectra, refractive index, and absorption coefficient of these nano particles were determined. The temperature dependences of the infrared and Raman spectra and the number of the optically active electrons in the nanoparticles composed of a semiconductor and/or a dielectric were investigated

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9.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Spectral characteristics of water clusters in the presence of nitrate ions [Электронный ресурс] / A. E. Galashev // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2012. - Vol.74, №6. - P655-662
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
DIELECTRIC PERMITTIVITIES -- FLEXIBLE MOLECULES -- IR ABSORPTION COEFFICIENT
Аннотация: Nitrate ion adsorption by water clusters is studied using the molecular dynamics method combined with a polarizable model of flexible molecules. It is established that successive addition of one to six NO 3 - ions to an (H2O)50 cluster decreases the averaged electrical potential related to the center of masses of water molecules. The (H2O)50 cluster retains its thermodynamic stability, provided that no more than three nitrate ions are added to it. After NO 3 - ions are adsorbed, the real and imaginary components of the dielectric permittivity and the intensity of the Raman spectrum decrease, while the intensity of the IR absorption spectrum increases. Moreover, ion adsorption by the water cluster reduces the IR absorption coefficient and refractive index

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10.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Molecular dynamics simulation of adsorption of ozone and nitrate ions by water clusters [Электронный ресурс] / A. E. Galashev // High Temperature. - 2012. - Vol.50, №2. - P204-213
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CO-ADSORPTION -- DISPERSE SYSTEMS -- NITRATE IONS
Аннотация: Coadsorption of ozone molecules and nitrate ions by water clusters was studied by the molecular dynamics technique. The maximum value of an average O-H⋯O bond length in a water carcass is realized at the minimum specific number of such bonds when the ratio of adsorbed ozone molecules to nitrate ions captured by a cluster is two. IR absorption and reflection spectra were reshaped significantly, and new peaks appeared at Raman spectra due to the addition of ozone and nitrate ions to the disperse water system. After ozone and nitrate ions were captured, the average (in frequency) IR reflection coefficient of the water disperse system increased drastically and the absorption coefficient fell

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11.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Spectral characteristics of water clusters in the presence of nitrate ions [Электронный ресурс] / A. E. Galashev // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2012. - Vol.74, №6. - P655-662
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
DIELECTRIC PERMITTIVITIES -- FLEXIBLE MOLECULES -- IR ABSORPTION COEFFICIENT
Аннотация: Nitrate ion adsorption by water clusters is studied using the molecular dynamics method combined with a polarizable model of flexible molecules. It is established that successive addition of one to six NO 3 - ions to an (H2O)50 cluster decreases the averaged electrical potential related to the center of masses of water molecules. The (H2O)50 cluster retains its thermodynamic stability, provided that no more than three nitrate ions are added to it. After NO 3 - ions are adsorbed, the real and imaginary components of the dielectric permittivity and the intensity of the Raman spectrum decrease, while the intensity of the IR absorption spectrum increases. Moreover, ion adsorption by the water cluster reduces the IR absorption coefficient and refractive index

Найти похожие
12.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Molecular dynamics simulation of adsorption of ozone and nitrate ions by water clusters [Электронный ресурс] / A. E. Galashev // High Temperature. - 2012. - Vol.50, №2. - P204-213
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CO-ADSORPTION -- DISPERSE SYSTEMS -- NITRATE IONS
Аннотация: Coadsorption of ozone molecules and nitrate ions by water clusters was studied by the molecular dynamics technique. The maximum value of an average O-H⋯O bond length in a water carcass is realized at the minimum specific number of such bonds when the ratio of adsorbed ozone molecules to nitrate ions captured by a cluster is two. IR absorption and reflection spectra were reshaped significantly, and new peaks appeared at Raman spectra due to the addition of ozone and nitrate ions to the disperse water system. After ozone and nitrate ions were captured, the average (in frequency) IR reflection coefficient of the water disperse system increased drastically and the absorption coefficient fell

Найти похожие
13.
Инвентарный номер: нет.
   
   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

Найти похожие
14.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Molecular-dynamic modeling of the spectral characteristics of the ozone-water cluster system [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova // High Temperature. - 2011. - Vol.49, №2. - P193-196
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
AQUEOUS SYSTEM -- CLUSTER SYSTEMS -- HIGHLY SENSITIVE
Аннотация: The absorption of one to six ozone molecules by the (H 2O) 25 cluster is studied by the method of molecular dynamics under near-atmospheric conditions. The capture of O 3 molecules by a water cluster produces a decrease in the integral intensity of IR absorption, reflection, and Raman spectra. IR absorption spectra are highly sensitive to the number of ozone molecules absorbed by a water cluster. The observed photon emission time and the radiation intensity of a dispersed aqueous system with absorbed ozone molecules are appreciably reduced relative to the analogous characteristics of a pure water cluster system

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15.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Modeling the infrared and raman spectra of silicon dioxide clusters absorbing water [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, l. A. Zemnukhova // Russian Journal of Physical Chemistry A, Focus on Chemistry. - 2011. - Vol.85, №6. - P955-960
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
IR AND RAMAN SPECTRA -- MOLECULAR DYNAMICS METHOD -- SILICON DIOXIDE CLUSTERS
Аннотация: The effect of absorbed water on the dielectric properties of silicon dioxide nanoparticles is studied by the molecular dynamic method. It is demonstrated using the model of flexible molecules that increasing the number of water molecules in the (SiO2)50 cluster to 40 results in an enhancement of absorption of infrared radiation over the frequency range 0 cm-1 ≤ ω ≤ 1000 cm-1. It is ascertained that the absorption of water molecules by the (SiO2)50 cluster considerably alters the shape of Raman spectra of light, smoothing all the peaks after the first one, and that water molecules are concentrated near the cluster surface formed by SiO2 structural units

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16.
Инвентарный номер: нет.
   
   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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17.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Spectral characteristics of water clusters in the interaction with ozone molecules and bromide ions [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova // Russian Journal of Physical Chemistry B. - 2011. - Vol.5, №3. - P450-460
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
BROMINE IONS -- INFRARED SPECTRA -- OZONE
Аннотация: The molecular dynamics method is used to study the interaction of the (Br -) i(H 2O) 50-i clusters in a medium of water vapor with ozone molecules. The clusters absorb O 3 molecules and retain them, along with Br - ions, for a 25-ps-long calculation procedure. The presence of bromide ions results in significant increases in the values of the real and imaginary parts of the relative permittivity. The addition of bromide ions causes a significant increase in the integrated IR radiation absorption intensities and in the radiant power emitted by the clusters. The addition of Br - ions only slightly affects the intensity of the Raman spectra until the number of Br - reaches six, when a dramatic decrease of the integrated intensity of this spectrum occurs. Bromide ions absorbed by water clusters produce a much more lasting impact on the ozone molecules trapped by the cluster than chlorine ions do, all other things being e

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18.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Modeling the infrared and raman spectra of silicon dioxide clusters absorbing water [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, l. A. Zemnukhova // Russian Journal of Physical Chemistry A, Focus on Chemistry. - 2011. - Vol.85, №6. - P955-960
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
IR AND RAMAN SPECTRA -- MOLECULAR DYNAMICS METHOD -- SILICON DIOXIDE CLUSTERS
Аннотация: The effect of absorbed water on the dielectric properties of silicon dioxide nanoparticles is studied by the molecular dynamic method. It is demonstrated using the model of flexible molecules that increasing the number of water molecules in the (SiO2)50 cluster to 40 results in an enhancement of absorption of infrared radiation over the frequency range 0 cm-1 ≤ ω ≤ 1000 cm-1. It is ascertained that the absorption of water molecules by the (SiO2)50 cluster considerably alters the shape of Raman spectra of light, smoothing all the peaks after the first one, and that water molecules are concentrated near the cluster surface formed by SiO2 structural units

Найти похожие
19.
Инвентарный номер: нет.
   
   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

Найти похожие
20.
Инвентарный номер: нет.
   
   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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