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Труды сотрудников ЦНБ УрО РАН
Публикации Черешнева В.А.
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 Найдено в других БД:Каталог книг и продолжающихся изданий (11)Каталог препринтов УрО РАН (1975 г. - ) (1)Труды Института высокотемпературной электрохимии УрО РАН (36)Труды сотрудников Института органического синтеза УрО РАН (15)Труды сотрудников Института химии твердого тела УрО РАН (101)Расплавы (26)Публикации Черешнева В.А. (1)Публикации Чарушина В.Н. (2)
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1.

Вид документа :
Шифр издания : 53/T 44
Автор(ы) : Baidakov V. G., Boltachev G. Sh., Protsenko S.P., Chernykh G. G.
Заглавие : The van der Waals Theory of Capillarity and Computer Simulation
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2002. - Vol.64, №6. - С. 661-670
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): thermodynamic properties --lennard-jones fluid--van-der-waals
Аннотация: Computer experiments are performed on the determination of thermodynamic properties and structural characteristics of the Lennard-Jones fluid in one- and two-phase models to check the basic concepts of the van der Waals theory of capillarity. Calculations are performed using molecular dynamics method. It is shown that, at T* 1.1, the properties of flat interface can be described, within the limits of computer experiment error, in terms of the van der Waals gradient theory with the density-independent influence parameter . The account of density dependence of via the second moment of direct correlation function deteriorates the agreement between the theory and the data of computer simulation. The contribution of inhomogeneous system of higher (than ()2) terms to the Helmholtz free energy of inhomogeneous system is considered. It is shown that the account of terms proportional to ()4 does not lead to the agreement between the theory and the data of computer simulation, whereas the consideration of terms proportional to ()6 makes it possible to describe (with a good accuracy) all the properties of flat interface within the temperature range from triple point to the critical one
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2.

Вид документа :
Шифр издания : 53/T 44
Автор(ы) : Baidakov V. G., Boltachev G. Sh., Protsenko S.P., Chernykh G. G.
Заглавие : The van der Waals Theory of Capillarity and Computer Simulation
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2002. - Vol.64, №6. - С. 661-670
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): thermodynamic properties --lennard-jones fluid--van-der-waals
Аннотация: Computer experiments are performed on the determination of thermodynamic properties and structural characteristics of the Lennard-Jones fluid in one- and two-phase models to check the basic concepts of the van der Waals theory of capillarity. Calculations are performed using molecular dynamics method. It is shown that, at T* 1.1, the properties of flat interface can be described, within the limits of computer experiment error, in terms of the van der Waals gradient theory with the density-independent influence parameter . The account of density dependence of via the second moment of direct correlation function deteriorates the agreement between the theory and the data of computer simulation. The contribution of inhomogeneous system of higher (than ()2) terms to the Helmholtz free energy of inhomogeneous system is considered. It is shown that the account of terms proportional to ()4 does not lead to the agreement between the theory and the data of computer simulation, whereas the consideration of terms proportional to ()6 makes it possible to describe (with a good accuracy) all the properties of flat interface within the temperature range from triple point to the critical one
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3.

Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Andbaeva V. N.
Заглавие : The liquid-gas interface of oxygen-nitrogen solutions 2: Description in the Framework of the van der Waals gradient theory
Место публикации : Fluid Phase Equilibria. - 2009. - Vol.286, №2. - С. 175-181
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): surface tension--gradient theory--density profile
Аннотация: The van der Waals gradient theory (vdW GT) is used to calculate surface tension, density profiles, adsorption, the Tolman length and to determine the position of dividing surfaces in the liquid-gas interface of an oxygen-nitrogen solution. The Helmholtz energy density (HED) is determined via an equation of state (EOS), unified for a liquid and gas, which describes stable. metastable and two-phase states of solutions. The influence parameters are calculated from data on the surface tension of pure components with the use of the mixing rule. At temperatures T 100 K the vdW GT describes experimental data on the surface tension of oxygen-nitrogen solutions [V.G. Baidakov, A.M. Kaverin, V.N. Andbaeva, The liquid-gas interface of oxygen-nitrogen solutions: 1. Surface tension, Fluid Phase Equilib. 270 (2008) 116-120] within the experimental error. It is shown that the Tolman length, which determines the dependence of surface tension on the curvature of the dividing surface, depends considerably on the solution concentration
\\\\Expert2\\nbo\\Fluid Phase Equilibria\\2008, v.286, p.175-181.pdf
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4.

Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Andbaeva V. N.
Заглавие : The liquid-gas interface of oxygen-nitrogen solutions 2: Description in the Framework of the van der Waals gradient theory
Место публикации : Fluid Phase Equilibria. - 2009. - Vol.286, №2. - С. 175-181
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): surface tension--gradient theory--density profile
Аннотация: The van der Waals gradient theory (vdW GT) is used to calculate surface tension, density profiles, adsorption, the Tolman length and to determine the position of dividing surfaces in the liquid-gas interface of an oxygen-nitrogen solution. The Helmholtz energy density (HED) is determined via an equation of state (EOS), unified for a liquid and gas, which describes stable. metastable and two-phase states of solutions. The influence parameters are calculated from data on the surface tension of pure components with the use of the mixing rule. At temperatures T 100 K the vdW GT describes experimental data on the surface tension of oxygen-nitrogen solutions [V.G. Baidakov, A.M. Kaverin, V.N. Andbaeva, The liquid-gas interface of oxygen-nitrogen solutions: 1. Surface tension, Fluid Phase Equilib. 270 (2008) 116-120] within the experimental error. It is shown that the Tolman length, which determines the dependence of surface tension on the curvature of the dividing surface, depends considerably on the solution concentration
\\\\Expert2\\nbo\\Fluid Phase Equilibria\\2008, v.286, p.175-181.pdf
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5.

Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G.
Заглавие : Temperature dependence of the surface free energy of a crystal-liquid interface
Место публикации : Russian Journal of Physical Chemistry A. - 2012. - Vol.86, №1. - С. 1763-1765
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): nucleation theory--melting line--crystal-liquid interface
Аннотация: A dimensionless complex containing the surface free energy of a crystal-liquid interface γ, and the entropy jump, temperature, and density of a crystal phase is described using the phenomenology of thermodynamic similarity; this complex remains constant at the melting line. It is demonstrated that the complex refines the result obtained by Skripov and Faizullin in [6] and enables us to estimate the temperature dependence of γ. Our calculations show that the surface free energy of the crystal-liquid interface of normally melting compounds is a monotonically increasing function of temperature
\\\\Expert2\\nbo\\Russian Journal of Physical Chemistry A, Focus on Chemistry\\2012, V.86, N 1, p.1763.pdf
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6.

Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G.
Заглавие : Temperature dependence of the surface free energy of a crystal-liquid interface
Место публикации : Russian Journal of Physical Chemistry A. - 2012. - Vol.86, №1. - С. 1763-1765
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): nucleation theory--melting line--crystal-liquid interface
Аннотация: A dimensionless complex containing the surface free energy of a crystal-liquid interface γ, and the entropy jump, temperature, and density of a crystal phase is described using the phenomenology of thermodynamic similarity; this complex remains constant at the melting line. It is demonstrated that the complex refines the result obtained by Skripov and Faizullin in [6] and enables us to estimate the temperature dependence of γ. Our calculations show that the surface free energy of the crystal-liquid interface of normally melting compounds is a monotonically increasing function of temperature
\\\\Expert2\\nbo\\Russian Journal of Physical Chemistry A, Focus on Chemistry\\2012, V.86, N 1, p.1763.pdf
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7.

Вид документа :
Шифр издания : 53/S 81
Автор(ы) : Baidakov V. G., Protsenko S.P., Chernykh G. G., Boltachev G. Sh.
Заглавие : Statistical substantiation of the van der Waals theory of inhomogeneous fluids
Место публикации : Physical Review E: Statistical, Nonlinear, and Soft Matter Physics. - 2002. - Vol.65, №4. - С. 041601-041617
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): lennard-jones fluid--van-der-waals theory --molecular dynamics
Аннотация: Computer experiments on simulation of thermodynamic properties and structural characteristics of a Lennard-Jones fluid in one- and two-phase models have been performed for the purpose of checking the base concepts of the van der Waals theory. Calculations have been performed by the method of molecular dynamics at cutoff radii of the intermolecular potential rc,1=2.6σ and rc,2=6.78σ. The phase equilibrium parameters, surface tension, and density distribution have been determined in a two-phase model with a flat liquid-vapor interface. The strong dependence of these properties on the value of rc is shown. The p,ρ,T properties and correlation functions have been calculated in a homogeneous model for a stable and a metastable fluid. An equation of state for a Lennard-Jones fluid describing stable, metastable, and labile regions has been built. It is shown that at T~1.1 the properties of a flat interface within the computer experimental error can be described by the van der Waals square-gradient theory with an influence parameter κ independent of the density. Taking into account the density dependence of κ through the second moment of the direct correlation function will deteriorate the agreement of the theory with data of computer simulation. The contribution of terms of a higher order than (∇ρ)2 to the Helmholtz free energy of an inhomogeneous system has been considered. It is shown that taking into account terms proportional to (∇ρ)4 leaves no way of obtaining agreement between the theory and simulation data, while taking into consideration of terms proportional to (∇ρ)6 makes it possible to describe with adequate accuracy all the properties of a flat interface in the temperature range from the triple to the critical point
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8.

Вид документа :
Шифр издания : 53/S 81
Автор(ы) : Baidakov V. G., Protsenko S.P., Chernykh G. G., Boltachev G. Sh.
Заглавие : Statistical substantiation of the van der Waals theory of inhomogeneous fluids
Место публикации : Physical Review E: Statistical, Nonlinear, and Soft Matter Physics. - 2002. - Vol.65, №4. - С. 041601-041617
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): lennard-jones fluid--van-der-waals theory --molecular dynamics
Аннотация: Computer experiments on simulation of thermodynamic properties and structural characteristics of a Lennard-Jones fluid in one- and two-phase models have been performed for the purpose of checking the base concepts of the van der Waals theory. Calculations have been performed by the method of molecular dynamics at cutoff radii of the intermolecular potential rc,1=2.6σ and rc,2=6.78σ. The phase equilibrium parameters, surface tension, and density distribution have been determined in a two-phase model with a flat liquid-vapor interface. The strong dependence of these properties on the value of rc is shown. The p,ρ,T properties and correlation functions have been calculated in a homogeneous model for a stable and a metastable fluid. An equation of state for a Lennard-Jones fluid describing stable, metastable, and labile regions has been built. It is shown that at T~1.1 the properties of a flat interface within the computer experimental error can be described by the van der Waals square-gradient theory with an influence parameter κ independent of the density. Taking into account the density dependence of κ through the second moment of the direct correlation function will deteriorate the agreement of the theory with data of computer simulation. The contribution of terms of a higher order than (∇ρ)2 to the Helmholtz free energy of an inhomogeneous system has been considered. It is shown that taking into account terms proportional to (∇ρ)4 leaves no way of obtaining agreement between the theory and simulation data, while taking into consideration of terms proportional to (∇ρ)6 makes it possible to describe with adequate accuracy all the properties of a flat interface in the temperature range from the triple to the critical point
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9.

Вид документа : Статья из журнала
Шифр издания : 53/S 81
Автор(ы) : Perminov S. A., Lipnyagov E. V., Ermakov G. V., Parshakova M. A.
Заглавие : Statistical properties of fluctuation boiling centers on the wall of a silylated glass cell for n-pentane near the boundary of attainable superheat
Место публикации : International Journal of Heat and Mass Transfer. - 2013. - Vol.57, №1. - С. 429-431
Примечания : Bibliogr. : p. 431 (11 ref.)
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): boiling-up--heterogeneous --liquids
Аннотация: High-speed video has been first used to show visually the existence of reproducible fluctuation boiling centers on a solid wall of an experimental cell for liquids superheated to the attainable superheat boundary. The main statistical characteristics of fluctuation centers have been calculated with allowance for censoring. The nonstationarity of a fluctuation process leading to the appearance of a nucleus capable of spontaneous growth has been shown. The change in the density of distribution of probabilities of boiling-up on an ensemble of centers with an increase in their number has been demonstrated. With an increase in the number of centers the probability of observation of large lifetimes of a liquid in the state of superheating decreases rapidly
\\\\expert2\\NBO\\International Journal of Heat and Mass Transfer\\2013, v.57, p.429-431.pdf
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10.

Вид документа : Статья из журнала
Шифр издания : 53/S 81
Автор(ы) : Perminov S. A., Lipnyagov E. V., Ermakov G. V., Parshakova M. A.
Заглавие : Statistical properties of fluctuation boiling centers on the wall of a silylated glass cell for n-pentane near the boundary of attainable superheat
Место публикации : International Journal of Heat and Mass Transfer. - 2013. - Vol.57, №1. - С. 429-431
Примечания : Bibliogr. : p. 431 (11 ref.)
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): boiling-up--heterogeneous --liquids
Аннотация: High-speed video has been first used to show visually the existence of reproducible fluctuation boiling centers on a solid wall of an experimental cell for liquids superheated to the attainable superheat boundary. The main statistical characteristics of fluctuation centers have been calculated with allowance for censoring. The nonstationarity of a fluctuation process leading to the appearance of a nucleus capable of spontaneous growth has been shown. The change in the density of distribution of probabilities of boiling-up on an ensemble of centers with an increase in their number has been demonstrated. With an increase in the number of centers the probability of observation of large lifetimes of a liquid in the state of superheating decreases rapidly
\\\\expert2\\NBO\\International Journal of Heat and Mass Transfer\\2013, v.57, p.429-431.pdf
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