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Общее количество найденных документов : 152
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1.

Вид документа : Статья из журнала
Шифр издания : 53/C 73
Автор(ы) : Galashev A. E., Rakhmanova O. R., Novruzova O. A., Galasheva A. A., Novruzov A. N.
Заглавие : Computer simulation of oxygen and nitrate ion absorption by water clusters
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal)
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): 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.

Вид документа : Статья из журнала
Шифр издания : 53/C 73
Автор(ы) : Galashev A. E., Rakhmanova O. R., Novruzova O. A., Galasheva A. A., Novruzov A. N.
Заглавие : Computer simulation of oxygen and nitrate ion absorption by water clusters
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal)
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): 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.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R.
Заглавие : Computer study of methane adsorption by water clusters
Место публикации : High Temperature. - 2013. - Vol.51, №3. - С. 369-376
Примечания : Bibliogr. : p. 375-376 (36 ref.)
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): 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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4.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R.
Заглавие : Computer study of methane adsorption by water clusters
Место публикации : High Temperature. - 2013. - Vol.51, №3. - С. 369-376
Примечания : Bibliogr. : p. 375-376 (36 ref.)
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): 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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5.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E.
Заглавие : Physical properties of silver-coated silica clusters: A computer experiment
Место публикации : Journal of Surface Investigation . - 2012. - Vol.6, №4. - С. 623-630
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): electromagnetic fields--molecular dynamics--silica
Аннотация: The effect on the physical properties of a silica cluster after silver coating has been studied by the molecular dynamics method. It has been established that silver atoms make a sphere-like cluster shape, increase mechanical stability and give a stable positive value of the surface tension. They increase the number of electrons able to interact with the electromagnetic field, and, hence, enhance the efficiency of thermal radiation transfer by clusters
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6.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E.
Заглавие : Molecular dynamics simulation of adsorption of ozone and nitrate ions by water clusters
Место публикации : High Temperature. - 2012. - Vol.50, №2. - С. 204-213
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): 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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7.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E.
Заглавие : Spectral characteristics of water clusters in the presence of nitrate ions
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2012. - Vol.74, №6. - С. 655-662
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): 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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8.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R.
Заглавие : Computer simulation of the cluster destruction of stratospheric ozone by bromine
Место публикации : Chinese Physics B . - 2012. - Vol. 21, №11. - С. 113602
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): 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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9.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R.
Заглавие : Computer simulation of the cluster destruction of stratospheric ozone by bromine
Место публикации : Chinese Physics B . - 2012. - Vol. 21, №11. - С. 113602
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): 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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10.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E.
Заглавие : Spectral characteristics of water clusters in the presence of nitrate ions
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2012. - Vol.74, №6. - С. 655-662
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): 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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