Центральная Научная Библиотека УрО РАН

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   S 94


    Surface tension of an ethane–nitrogen solution. 1: Experiment and thermodynamic analysis of the results [Electronic resource] / V. G. Baidakov, A. M. Kaverin, M. N. Khotienkova, V. N. Andbaeva // Fluid Phase Equilibria. - 2012. - Vol.328. - P13-20

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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   B 16

    Baidakov, V. G.
    Nucleation in Liquid Ethane with Small Additions of Metha [Electronic resource] / V. G. Baidakov, A. M. Kaverin, A. S. Pankov // Journal of Physical Chemistry C. - 2012. - Vol.116, №38. - P20458-20464

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
LIQUID -- SPONTANEOUS BOILING-UP -- ETHANE–METHANE SOLUTIONS
Аннотация: The method of measuring the lifetime of a liquid in a metastable (superheated) state has been used to investigate the kinetics of spontaneous boiling-up of ethane–methane solutions. The temperature dependence of the solution mean lifetime has been traced at two values of methane concentration (2.1 and 6.0 mol %) and two pressures (1.0 and 1.6 MPa). The results of experiments are compared with classical homogeneous nucleation theory. For pure ethane at small (<8.9 s) lifetimes, one can observe a systematic “under-heating” (0.5–0.7 K) of the solution against theoretical values of the limiting superheating temperature. Dissolution of 6 mol % of methane in ethane results in a solution “superheating” of 0.7 K in excess of the theoretical value. The slopes of experimental curves at small (<8.9 s) lifetimes are in satisfactory agreement with theory. When the mean lifetimes exceed the value of 8.9 s, one can observe considerable deviations of experimental curves from theoretical lines. The discrepancies are discussed in the context of models of heterogeneous and initiated nuc

\\\\Expert2\\nbo\\Journal of Physical Chemistry C\\2012, v. 116, p.20458.pdf
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   B 16

    Baidakov, V. G.
    Transport coefficients and the spinodal of a fluid [Electronic resource] / V. G. Baidakov // Physical Review E: Statistical, Nonlinear, and Soft Matter Physics. - 2012. - Vol.86, №2. - P021201

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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   B 16

    Baidakov, V. G.
    Temperature dependence of the surface free energy of a crystal-liquid interface [Electronic resource] / V. G. Baidakov // Russian Journal of Physical Chemistry A. - 2012. - Vol.86, №1. - P1763-1765

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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   B 16

    Baidakov, V. G.
    Metastable Lennard-Jones fluids. I. Shear viscosity [Electronic resource] / V. G. Baidakov, S. P. Protsenko, Z. R. Kozlova // Journal of Chemical Physics. - 2012. - Vol.137, №16. - P164507

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
LIQUIDS -- GLASS -- CRYSTALS
Аннотация: Molecular dynamics methods have been employed to calculate the coefficient of shear viscosity ηs* of a Lennard-Jones fluid. Calculations have been performed in the range of reduced temperatures 0.4 ⩽ kBT/ɛ ⩽ 2.0 and densities 0.01 ≤ ρσ3 ≤ 1.2. Values of ηs* have been obtained for 217 states, 99 of which refer to metastable liquid and gas regions. The results of calculating ηs* for thermodynamically stable states are in satisfactory agreement with the data of earlier investigations. An equation has been obtained which describes the temperature and density dependence of the coefficient of shear viscosity in stable and metastable regions of the phase diagram up to the boundaries of spontaneous nucleation. The behavior of the coefficient of shear viscosity close to the spinodal of a superheated liquid and supersaturated vapor is discussed and the applicability of the Stokes-Einstein relation at high supercoolings of the liquid phase is examined.

\\\\Expert2\\nbo\\Journal of Chemical Physics\\2012, V.137, p.164507.pdf
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   B 16

    Baidakov, V. G.
    Crystal nucleation and the solid–liquid interfacial free energy [Electronic resource] / V. G. Baidakov, A. O. Tipeev // Journal of Chemical Physics. - 2012. - Vol.136, №7. - P074510

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
LENNARD-JONES FLUID -- CRYSTAL NUCLEATION -- METASTABLE SYSTEMS
Аннотация: We present the results of molecular dynamics simulation of crystal nucleation in a supercooled Lennard–Jones liquid. Temperature and baric dependences of the nucleation rate, the Zeldovich factor, nucleus size diffusion coefficient, the radius, and the pressure in a critical crystal nucleus are defined in computer simulation. The data obtained have been used in the framework of classical nucleation theory to calculate the effective surface energy of crystal nuclei γe. It is shown that the value of γe at T = const exceeds the value of the interfacial free energy at a flat crystal–liquid interface γ∞ and γe < γ∞ at p = const.

\\\\Expert2\\nbo\\Journal of Chemical Physics\\2012, V.136, p.074510.pdf
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10.

11.

12.

13.

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   B 16

    Baidakov, V. G.
    The self-diffusion coefficient in stable and metastable states of the Lennard-Jones fluid [Electronic resource] / V. G. Baidakov, S. P. Protsenko, Z. R. Kozlova // Fluid Phase Equilibria. - 2011. - Vol. 305, № 2. - P106-113

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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 <= k(B)T/epsilon <= 2.0 and densities 0.005 <= rho sigma(3) <= 1.2. Calculations have been made in stable and metastable states to the boundary of spontaneous nucleation in a model containing 2048 interacting particles. Results of computations, performed in the parameter range of stable states, are compared with the results of previous papers. Equations have been formulated, which describe the dependences of the self-diffusion coefficient on temperature and density and on temperature and pressure in the whole range of parameters including both the stable and metastable (supersaturated vapor, superheated and supercooled liquid) states of fluid

\\\\Expert2\\nbo\\Fluid Phase Equilibria\\2011, v.305, p. 106-113.pdf
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14.

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   C 20


    Capillary constant and surface tension of methane-nitrogen solutions: 1. Experiment [Electronic resource] / V. G. Baidakov, M. N. Khotienkova, V. N. Andbaeva, A. M. Kaverin // Fluid Phase Equilibria. - 2011. - Vol.301, №1. - P67-72

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MIXTURES -- OXYGEN
Аннотация: The differential version of the method of capillary rise has been used to measure the capillary constant and calculate the surface tension of methane-nitrogen solutions. Experiments. have been conducted in the temperature range from 95 to 170K at pressures up to 4 MPa. Experimental data on surface tension have been compared with the results of calculations by thermodynamic models. Equations are given which describe the dependence of the capillary constant of a solution on its temperature and composition.

\\\\Expert2\\nbo\\Fluid Phase Equilibria\\2011, v.301, p. 67-72.pdf
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15.

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   C 20


    Capillary Constant of a Xenon–Helium Solution [Electronic resource] / V. G. Baidakov, A. M. Kaverin, V. N. Andbaeva, M. N. Khotienkova // Journal of Chemical & Engineering Data. - 2011. - Vol.56, №11. - P4123-4125

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CAPILLARY METHOD -- XENON–HELIUM SOLUTION
Аннотация: The differential capillary method has been used to measure the capillary constant of a xenon–helium solution. Experiments have been conducted in the temperature range from (165 to 267) K at pressures up to 4 MPa. An equation approximating the baric dependence of the capillary constant has been suggested

\\\\Expert2\\nbo\\Journal of Chemical and Engineering Data\\2011, v.56, p. 4123-4125.pdf
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16.

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   B 16

    Baidakov, V. G.
    Cavitation and crystallization in a metastable Lennard-Jones liquid at negative pressures and low temperatures [Electronic resource] / V. G. Baidakov, K. S. Bobrov, A. S. Teterin // Journal of Chemical Physics. - 2011. - Vol.135, №5. - P054512

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
SOLID-LIQUIDS -- LIQUIDS -- LENNARD-JONES
Аннотация: Molecular dynamics simulations have been used to investigate the kinetics of spontaneous cavitation and crystallization in a Lennard-Jones liquid at negative pressures in the temperature range where these processes compete with each other. The nucleation rate has been calculated in NVE and NpT ensembles by the method of mean lifetime and the transition interface sampling method with parallel path swapping. The data obtained have been used to determine in the framework of classical nucleation theory the value of the ratio of the solid–liquid and the liquid–void interfacial free energy for critical crystals and cavities and the values of their volumes at points where the cavitation rate of the liquid is equal to the rate of its crystallization

\\\\Expert2\\nbo\\Journal of Chemical Physics\\2011, v.135, p.054512.pdf
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