Центральная Научная Библиотека УрО РАН

Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G.
Заглавие : Transport coefficients and the spinodal of a fluid
Место публикации : Physical Review E: Statistical, Nonlinear, and Soft Matter Physics. - 2012. - Vol.86, №2. - С. 021201
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): computer simulation--transport coefficients --lennard-jones
Аннотация: Based on the results of computer simulation of transport coefficients in a Lennard-Jones fluid, it has been shown that in (p,T) coordinates, lines of constant values of coefficients of self-diffusion D and excess shear viscosity Δη extended into the region of superheated liquid and supersaturated vapor have an envelope. Each of the ensembles of such lines is divided into two parts by a critical isoline, where the conditions ϕ=ϕc=const (ϕ=D,Δη) are fulfilled. One part of this ensemble has as an envelope the branch of the spinodal that refers to superheated liquid; the other part has the branch of the spinodal of supersaturated vapor. The critical point of liquid-vapor equilibrium is the cusp of the spinodal, at which the critical isolines have a common tangent line with the spinodal and the binodal. Thus, at the approach to the spinodal, the relations (∂D/∂p)T→∞ and (∂Δη/∂p)T→∞ hold
\\\\Expert2\\nbo\\Physical Review E\\2012, v. 86, p.021201.pdf
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Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P., Kozlova Z. R.
Заглавие : Thermal and caloric equations of state for stable and metastable Lennard-Jones fluids. I. Molecular-dynamics simulations
Место публикации : Fluid Phase Equilibria. - 2008. - Vol. 263, № 1. - С. 55-63
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): equation of state--computer simulation--lennard-jones fluid--metastable phases--spinodals
Аннотация: The method of molecular dynamics has been used to calculate the pressure, internal energy and isochoric heat capacity of the Lennard–Jones fluid for 208 states in the range of temperatures 0.35 kBT 2.0 and densities 0.001 1.2. The array of data obtained, along with stable states, includes homogeneous metastable states (supersaturated vapor, superheated and supercooled liquid). Spinodals of supersaturated vapor and superheated liquid have been approximated. In a stable region the data obtained are compared with the results of previous papers. The behavior of thermodynamic properties of the fluid in the event of homogeneity disturbance and formation of micro-heterogeneous (“two-phase”) states has been considered.
\\\\Expert2\\nbo\\Fluid Phase Equilibria\\2008, v.263, p.55.pdf
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Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P., Kozlova Z. R.
Заглавие : The self-diffusion coefficient in stable and metastable states of the Lennard-Jones fluid
Место публикации : Fluid Phase Equilibria. - 2011. - Vol. 305, № 2. - С. 106-113
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): lennard-jones fluid--vapor--superheated liquids
Аннотация: Molecular-dynamics simulations have been employed to calculate the self-diffusion coefficient of a Lennard-Jones fluid for 198 sets of state parameters in the range of temperatures 0.35
\\\\Expert2\\nbo\\Fluid Phase Equilibria\\2011, v.305, p. 106-113.pdf
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Вид документа : Статья из журнала
Шифр издания : 53/B 74
Автор(ы) : Boltachev G. Sh., Baidakov V. G.
Заглавие : The Second and Third Virial Coefficients of Simple Fluids
Место публикации : High Temperature. - 2006. - Vol. 44, № 1. - С. 83-90
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): fluid condition
Аннотация: The asymptotic behavior of the second B and third C virial coefficients in the low temperature region is analyzed for fluids with a spherical pair-additive potential of interparticle interaction. The temperature dependences B( T) and C( T) are approximated by expressions which convey correctly the behavior of the virial coefficients in the low-and high-temperature limits. The free parameters of approximation formulas for pure nitrogen, argon, and oxygen are determined. The derived virial equations of state are used to calculate the limit of significant instability of the gas phase in a wide temperature range.
\\\\Expert2\\NBO\\High Temperature\\2006, v.44, p.83.pdf
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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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Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Protsenko S.P., Kozlova Z. R.
Заглавие : The isochoric heat capacity of a metastable Lennard-Jones fluid
Место публикации : Chemical Physics Letters. - 2007. - Vol. 447, № 4-6. - С. 236-240
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): lennard-jones fluid
Аннотация: The article presents the results of molecular-dynamics calculations of the isochoric heat capacity, cv, and the (p, ?, T) – properties of the Lennard-Jones fluid in the region of liquid–gas phase transition in stable and metastable states. The system under investigation contains 2048 particles, the cut-off radius of the potential is chosen equal to 6.78?. The results of computations of the (p, ?, T) – properties have been used to approximate the location of the spinodal. Values of cv have been determined along the gas and the liquid branches of the spinodal. A thermodynamic relation that determines the value of cv on the spinodal in terms of derivatives with respect to temperature of the entropy, pressure and specific volume along the spinodal has been obtained. It is shown that molecular-dynamics data are in agreement with the results of the thermodynamic analysis.????
\\\\Expert2\\NBO\\Chemical Physics Letters\\2007, v. 447, p.236.pdf
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Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G.
Заглавие : The attainable superheating of nitrogen-helium solutions
Место публикации : Russian Journal of Physical Chemistry A. - 2009. - Vol.83, №10. - С. 1751-1756
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): homogeneous nucleation--oxygen--krypton
Аннотация: The nucleation of the vapor phase in superheated nitrogen-helium liquid solutions was studied by lifetime measurements. The temperature dependences of the mean lifetime of metastable solutions were obtained at p = 0.5 and 1.0 MPa and several concentrations. The nucleation rate J was found to vary from 10(4) to 10(8) s(-1) m(-3). The adsorption of the high-volatility component on the metastable liquid-critical bubble boundary was shown to play a determining role in decreasing the temperature of the attainable solution super-heating as the solution concentration increased. The experimental data were compared with homogeneous nucleation theory. Systematic discrepancies were obtained; these discrepancies were related to the influence of the size effect on the surface tension of a nucleus and the work of its formation
\\\\Expert2\\nbo\\Russian Journal of Physical Chemistry A, Focus on Chemistry\\2009, v. 83, N 10, p.1751.pdf
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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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Вид документа : Статья из журнала
Шифр издания : 53/S 94
Автор(ы) : Baidakov V. G., Kaverin A. M., Khotienkova M. N., Andbaeva V. N.
Заглавие : Surface tension of an ethane–nitrogen solution. 1: Experiment and thermodynamic analysis of the results
Место публикации : Fluid Phase Equilibria. - 2012. - Vol.328. - С. 13-20
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): surface tension--capillary constant--ethane–nitrogen solution
Аннотация: The differential variation of the method of capillary rise has been employed to measure the capillary constant and calculate the surface tension of ethane–nitrogen solutions. Experiments have been conducted in the temperature range from 93.15 K to 283.15 K at pressures up to 4 MPa. The (p, T)-projection of the line of three-phase liquid–liquid–vapor equilibrium and the surface tension at a liquid–vapor interface close to this line have been determined. Equations are developed which describe the dependence of the capillary constant and the surface tension on the temperature, pressure, and composition of the liquid phase. Experimental data on the surface tension are analyzed in the framework of thermodynamic m
\\\\Expert2\\nbo\\Fluid Phase Equilibria\\2012, v.328, p. 13-20.pdf
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Вид документа : Статья из журнала
Шифр издания : 53/B 16
Автор(ы) : Baidakov V. G., Kaverin A. M.
Заглавие : Superheating of liquid xenon in metal tubes
Место публикации : Journal of Chemical Physics. - 2009. - Vol.131, №6. - С. Artical Number 064708
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): line-tension--surface tension--nucleation
Аннотация: The method of measuring the lifetime has been used to investigate the kinetics of spontaneous boiling-up of superheated xenon in copper tubes. In experiments the temperature dependence of the mean lifetime has been determined at pressures of 1.48 and 1.98 MPa. The data obtained have been compared with homogeneous nucleation theory. It has been found that experimental values of the attainable superheating temperature and the derivative (partial derivative ln J/partial derivative T)(p) are systematically lower than their theoretical values. A description of experimental data in the framework of heterogeneous nucleation theory has shown that for the agreement of theory and experiment with the use of a macroscopic model of nucleation on a smooth surface it is necessary to take the value of the equilibrium contact angle theta(0) equal to 70 degrees, which is not a characteristic for a xenon-metal system. Taking into account the contribution of the energy of the three-phase contact solid wall-liquid-gas in a microscopic nucleation model makes it possible to reconcile heterogeneous nucleation theory and experimental data at a contact angle theta(0) close to zero, with the linear tension taken equal to -6x10(-12) J/m and the microscopic contact angle theta(*)similar or equal to 57 degrees. The number of weakened sites, on which bubbles may form, is always smaller than the number of molecules adjacent to the solid wall
\\\\Expert2\\nbo\\Journal of Chemical Physics\\2009, v.131, p.064708.pdf
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