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1.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Polukhin V. A.
Заглавие : Computer-assisted study of silver absorption by porous silicon dioxide nanoparticles
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2011. - Vol.73, №6. - С. 761-767
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): 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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2.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Polukhin V. A.
Заглавие : Computer-assisted study of silver absorption by porous silicon dioxide nanoparticles
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2011. - Vol.73, №6. - С. 761-767
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): 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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3.

Вид документа :
Шифр издания : 53/A 46
Автор(ы) : Ambrose D., Tsonopoulos C., Nikitin E. D.
Заглавие : Vapor−Liquid Critical Properties of Elements and Compounds. 11. Organic Compounds Containing B + O; Halogens + N, + O, + O + S, + S, + Si; N + O; and O + S, + Si
Место публикации : Journal of Chemical & Engineering Data. - 2009. - Vol.54, №3. - С. 669-689
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): critical constants --organic compounds --halogens
Аннотация: This review is part 11 of a series of contributions by the critical properties group of the previous IUPAC Commission I.2 on Thermodynamics, Subcommittee on Thermodynamic Data and the present IUPAC Project #2000-026-1-100, Critical Compilation of Vapor Liquid Critical Properties, sponsored by the Physical and Biophysical Chemistry Division. It presents all known experimental data for the critical constants of organic compounds containing at least two of the following atoms: B, Halogens (counted as one), N, O, S, and Si. Recommendations are given together with uncertainties. Critical temperatures have been converted, where warranted, to the ITS-90 scale
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4.

Вид документа :
Шифр издания : 53/A 46
Автор(ы) : Ambrose D., Tsonopoulos C., Nikitin E. D.
Заглавие : Vapor−Liquid Critical Properties of Elements and Compounds. 11. Organic Compounds Containing B + O; Halogens + N, + O, + O + S, + S, + Si; N + O; and O + S, + Si
Место публикации : Journal of Chemical & Engineering Data. - 2009. - Vol.54, №3. - С. 669-689
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): critical constants --organic compounds --halogens
Аннотация: This review is part 11 of a series of contributions by the critical properties group of the previous IUPAC Commission I.2 on Thermodynamics, Subcommittee on Thermodynamic Data and the present IUPAC Project #2000-026-1-100, Critical Compilation of Vapor Liquid Critical Properties, sponsored by the Physical and Biophysical Chemistry Division. It presents all known experimental data for the critical constants of organic compounds containing at least two of the following atoms: B, Halogens (counted as one), N, O, S, and Si. Recommendations are given together with uncertainties. Critical temperatures have been converted, where warranted, to the ITS-90 scale
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5.

Вид документа : Статья из журнала
Шифр издания : 53/B 74
Автор(ы) : Boltachev G. Sh., Zubarev N.M., Zubareva O. V.
Заглавие : Space charge influence on the angle of conical spikes developing on a liquid-metal anode
Место публикации : Physical Review E: Statistical, Nonlinear, and Soft Matter Physics. - 2008. - Vol. 77, № 5-2. - С. 056607/1-056607/10
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): argon
Аннотация: The influence of the space charge of ions emitted from the surface of a conical spike on its shape has been studied. The problem of the calculation of the spatial distributions of the electric field, ion velocity field, and the space charge density near the cone tip has been reduced to the analysis of a system of ordinary differential equations. As a result of numerical solution of these equations, the criterion for the balance of the capillary and electrostatic forces on the conic surface of a liquid-metal anode has been determined. It has allowed us to relate the electrical current flowing through the system, the applied potential difference, and the cone angle. We have compared the results of our calculations with available experimental data concerning emission from the surface of pure liquid gallium, indium, tin, and some liquid alloys, such as Au+Si, Co+Ge, and Au+Ge. On the basis of the proposed model, explanations have been given for a number of specific features of the emissive behavior of different systems.
\\\\Expert2\\NBO\\Physical Review E\\2008, v.77, N 5, p.056607.pdf
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6.

Вид документа : Статья из журнала
Шифр издания : 53/N 64
Автор(ы) : Nikitin E. D., Popov A. P., Simakina V. A.
Заглавие : Vapor-liquid critical properties of some tetraalkoxysilanes
Место публикации : Journal of Chemical & Engineering Data. - 2008. - Vol. 53, № 6. - С. 1371-1374
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): vapor-liquid
Аннотация: The critical pressures and the critical temperatures of ten tetraalkoxysilanes (tetraalkyl esters of silicic acid) Si[O(CH2)nH]4 with n = 1 to 10 have been measured. All the substances studied begin to decompose at temperatures below their critical points. The method of pulse-heating applicable to thermally unstable compounds has been used. Residence times were from (0.03 to 1) ms, which resulted in little decomposition of the substances during measuring. The experimental critical properties of tetraalkoxysilanes have been compared with the values estimated by the group-contribution methods of Lydersen and Nannoolal et al
\\\\Expert2\\NBO\\Journal of Chemical and Engineering Data\\2008, v.53, p. 1371.pdf
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7.

Вид документа : Статья из журнала
Шифр издания : 53/N 64
Автор(ы) : Nikitin E. D., Popov A. P., Simakina V. A.
Заглавие : Vapor-liquid critical properties of some tetraalkoxysilanes
Место публикации : Journal of Chemical & Engineering Data. - 2008. - Vol. 53, № 6. - С. 1371-1374
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): vapor-liquid
Аннотация: The critical pressures and the critical temperatures of ten tetraalkoxysilanes (tetraalkyl esters of silicic acid) Si[O(CH2)nH]4 with n = 1 to 10 have been measured. All the substances studied begin to decompose at temperatures below their critical points. The method of pulse-heating applicable to thermally unstable compounds has been used. Residence times were from (0.03 to 1) ms, which resulted in little decomposition of the substances during measuring. The experimental critical properties of tetraalkoxysilanes have been compared with the values estimated by the group-contribution methods of Lydersen and Nannoolal et al
\\\\Expert2\\NBO\\Journal of Chemical and Engineering Data\\2008, v.53, p. 1371.pdf
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8.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Izmodenov I. A.
Заглавие : Computer investigation of the structure of Si73 clusters surrounded by hydrogen
Место публикации : Glass Physics and Chemistry. - 2008. - Vol. 34, № 2. - С. 173-181
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): hydrogen
Аннотация: The stabilization of the structure of Si73 clusters that are surrounded by 60 hydrogen atoms and subjected to seventeenfold stepwise heating from 35 to 1560 K (in steps of ?90 K) is investigated using the molecular dynamics method. The analysis is performed for clusters of three types, i.e., a particle assembled from an icosahedron and a fullerene, a nanocrystal, and a particle with a random atomic packing. In all cases, an increase in the temperature in the course of heating is accompanied by evaporation of a Si atom from the clusters and an increase in the size of silicon particles. The temperature of detachment of Si atoms from clusters is lowest for the cluster with a random atomic packing and highest for the nanocrystal. The nanoassembled particle has the most stable number (close to four) of Si-Si bonds per atom over the entire temperature range 35 ? T ? 1560 K. For each type of Si73 clusters, the mean length of the Si-Si bond decreases with an increase in the temperature. According to the radial distribution functions, the Si73 clusters have different structures even at the temperature T = 1560 K. The distributions of bond angles reflect the presence of fourfold symmetry elements in the nanoassembled cluster and the nanocrystal. The relative depth of “penetration” of hydrogen atoms into the cluster is largest for the nanocrystal and smallest for the nanoassembled nanoparticle. The largest number of hydrogen atoms is “adsorbed” on the particle with a random atomic packing.
\\\\Expert2\\NBO\\Glass Physics and Chemistry\\2008, v. 34, N 2, p.173.pdf
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9.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Izmodenov I. A.
Заглавие : Computer investigation of the structure of Si73 clusters surrounded by hydrogen
Место публикации : Glass Physics and Chemistry. - 2008. - Vol. 34, № 2. - С. 173-181
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): hydrogen
Аннотация: The stabilization of the structure of Si73 clusters that are surrounded by 60 hydrogen atoms and subjected to seventeenfold stepwise heating from 35 to 1560 K (in steps of ?90 K) is investigated using the molecular dynamics method. The analysis is performed for clusters of three types, i.e., a particle assembled from an icosahedron and a fullerene, a nanocrystal, and a particle with a random atomic packing. In all cases, an increase in the temperature in the course of heating is accompanied by evaporation of a Si atom from the clusters and an increase in the size of silicon particles. The temperature of detachment of Si atoms from clusters is lowest for the cluster with a random atomic packing and highest for the nanocrystal. The nanoassembled particle has the most stable number (close to four) of Si-Si bonds per atom over the entire temperature range 35 ? T ? 1560 K. For each type of Si73 clusters, the mean length of the Si-Si bond decreases with an increase in the temperature. According to the radial distribution functions, the Si73 clusters have different structures even at the temperature T = 1560 K. The distributions of bond angles reflect the presence of fourfold symmetry elements in the nanoassembled cluster and the nanocrystal. The relative depth of “penetration” of hydrogen atoms into the cluster is largest for the nanocrystal and smallest for the nanoassembled nanoparticle. The largest number of hydrogen atoms is “adsorbed” on the particle with a random atomic packing.
\\\\Expert2\\NBO\\Glass Physics and Chemistry\\2008, v. 34, N 2, p.173.pdf
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10.

Вид документа : Статья из журнала
Шифр издания : 53/B 74
Автор(ы) : Boltachev G. Sh., Zubarev N.M., Zubareva O. V.
Заглавие : Space charge influence on the angle of conical spikes developing on a liquid-metal anode
Место публикации : Physical Review E: Statistical, Nonlinear, and Soft Matter Physics. - 2008. - Vol. 77, № 5-2. - С. 056607/1-056607/10
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): argon
Аннотация: The influence of the space charge of ions emitted from the surface of a conical spike on its shape has been studied. The problem of the calculation of the spatial distributions of the electric field, ion velocity field, and the space charge density near the cone tip has been reduced to the analysis of a system of ordinary differential equations. As a result of numerical solution of these equations, the criterion for the balance of the capillary and electrostatic forces on the conic surface of a liquid-metal anode has been determined. It has allowed us to relate the electrical current flowing through the system, the applied potential difference, and the cone angle. We have compared the results of our calculations with available experimental data concerning emission from the surface of pure liquid gallium, indium, tin, and some liquid alloys, such as Au+Si, Co+Ge, and Au+Ge. On the basis of the proposed model, explanations have been given for a number of specific features of the emissive behavior of different systems.
\\\\Expert2\\NBO\\Physical Review E\\2008, v.77, N 5, p.056607.pdf
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