Центральная Научная Библиотека УрО РАН

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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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   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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   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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   B 93

    Bulanov, N. V.
    Characteristic features of the boiling of emulsions having a low-boiling dispersed phase [Electronic resource] / N. V. Bulanov, B. M. Gasanov // Journal of Engineering Physics and Thermophysics. - 2006. - Vol. 79, № 6. - P1130-1133

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
BOILING
Аннотация: The results of investigation of heat transfer from thin wires to a boiling emulsion, the dispersed phase of which is formed from a liquid with a boiling temperature much lower than the boiling temperature of the dispersion medium, are presented. Two variants of boiling of such an emulsion are possible: boiling of the dispersed phase alone and simultaneous boiling of the dispersed phase and dispersion medium. In the present work, only the first variant has been studied; it is distinguished by the following most important features: high superheat of the dispersed-phase droplets ?T_sup of the emulsion and a wide temperature range of bubble boiling (50–200°C). For conventional heat carriers (pure liquids and solutions), the value of ?T_sup does not exceed 1–10°C, with the bubble-boiling interval lying within the range from 5 to 20°C.

\\\\Expert2\\NBO\\Journal of Engineering Physics and Thermophysics\\2006, v.79, N 6, P.1130.pdf
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   S 34

    Schmelzer, J. W. P.
    Classical and generalized Gibbs' approaches and the work of critical cluster formation in nucleation theory [Electronic resource] / J. W. P. Schmelzer, G. Sh. Boltachev, V. G. Baidakov // Journal of Chemical Physics. - 2006. - Vol. 124, № 19. - P194503/1-194503/18

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CLUSTERS
Аннотация: In the theoretical interpretation of the kinetics of first-order phase transitions, thermodynamic concepts developed long ago by Gibbs are widely employed giving some basic qualitative insights into these processes. However, from a quantitative point of view, the results of such analysis, based on the classical Gibbs approach and involving in addition the capillarity approximation, are often not satisfactory. Some progress can be reached here by the van der Waals and more advanced density functional methods of description of thermodynamically heterogeneous systems having, however, its limitations in application to the interpretation of experimental data as well. Moreover, both mentioned theories—Gibbs’ and density functional approaches—lead to partly contradicting each other’s results. As shown in preceding papers, by generalizing Gibbs’ approach, existing deficiencies and internal contradictions of these two well-established theories can be removed and a new generally applicable tool for the interpretation of phase formation processes can be developed. In the present analysis, a comparative analysis of the basic assumptions and predictions of the classical and the generalized Gibbs approaches is given. It is shown, in particular, that—interpreted in terms of the generalized Gibbs approach—the critical cluster as determined via the classical Gibbs approach corresponds not to a saddle but to a ridge point of the appropriate thermodynamic potential hypersurface. By this reason, the classical Gibbs approach (involving the classical capillarity approximation) overestimates as a rule the work of critical cluster formation in nucleation theory and, in general, considerably.

\\\\Expert2\\NBO\\Journal of Chemical Physics\\2006, v.124, p.194503.pdf
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10.

11.

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   C 74


    Computer simulation of nucleation in a gas-saturated liquid [Electronic resource] / S. P. Protsenko, V. G. Baidakov, A. S. Teterin, E. R. Zhdanov // Journal of Chemical Physics. - 2007. - Vol. 126, № 9. - P094502/1-094502/14

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
LIQUID
Аннотация: Molecular dynamics methods have been used to investigate the kinetics of the liquid-gas phase transition in a two-component Lennard-Jones system at negative pressures and elastic stretches of the liquid to values close to spinodal ones. The molecular dynamics system consists of 2048 interacting particles with parameters of the Lennard-Jones potential for argon and neon. Density dependences of pressure and internal energy have been calculated for stable and metastable states of the mixture at a temperature T^*?0.7±0.01 and three values of the concentration. The location of mechanical and the diffusion spinodals has been determined. It has been established that a gas-saturated mixture retains its stability against finite variations of state variables up to stretches close to the values near the diffusion spinodal. The statistic laws of the process of destruction of the metastable state have been investigated. The lifetimes of the metastable phase have been determined. It is shown that owing to the small height of the potential barrier that separates the microheterogeneous from the homogeneous state a system of finite size has a possibility to make the reverse transition from the microheterogeneous into the homogeneous state. The lifetimes of the system in the microheterogeneous state, as well as the expectation times of the occurrence of a critical nucleus, are described by Poissonian distributions.

\\\\Expert2\\NBO\\Journal of Chemical Physics\\2007, v.126, p.094502, S.P.Protsenko.pdf
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12.

13.

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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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14.

15.

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   C 91


    Crystal nucleation rate isotherms in lennard-jones liquids [Electronic resource] / V. G. Baidakov, A. O. Tipeev, K. S. Bobrov, G. V. Ionov // Journal of Chemical Physics. - 2010. - Vol.132, №23. - P234505

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR-DYNAMICS SIMULATION -- LENNARD-JONES FLUID -- NUCLEUS-LIQUID INTERFACE
Аннотация: We present the results of molecular dynamics simulations of the crystal nucleation rate in a supercooled Lennard-Jones liquid. The nucleation rate as a function of the pressure has been calculated by the method of determining the expectation time for liquid crystallization at temperatures higher than that of the triple point (T∗ = 0.865), close to the temperature of the terminal critical point of the metastable extension of the melting curve (T∗ = 0.55) and below this temperature (T∗ = 0.4). In computer experiments the nucleation rate varied from 1032 to 1035 s−1 m−3. The dimensions of critical nuclei and the pressure inside them, the surface free energy at a critical crystal nucleus-liquid interface, the height of the nucleation barrier, and the Zeldovich factor have been determined from the results of molecular dynamics simulations and their comparison with classical homogeneous nucleation theory. It is shown that the surface free energy at a curved crystal-liquid interface, as distinct from a flat interface, has also been determined at temperatures lower than the temperature of the terminal critical point of the melting curve and is a monotonically increasing function of the temperature

\\\\Expert2\\nbo\\Journal of Chemical Physics\\2010, v.132, p. 234505.pdf
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16.

17.

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   B 16

    Baidakov, V. G.
    Extended version of the Van der Waals capillarity theory [Electronic resource] / V. G. Baidakov, G. Sh. Boltachev // Journal of Chemical Physics. - 2004. - Vol. 121, № 17. - P8594-8601

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
VAN-DER-WAALS CHAIN-MOLECULE FLUID
Аннотация: An extended version of the van der Waals capillarity theory describing the liguid-vapor interface in the temperature range from the triple to the critical point is suggested. A model functional of thermodynamic potential for a two-phase Lennard-Jones system taking into account the effect of the highest degree terms of gradient expansion has been constructed. The identity of the thermodynamic and the mechanical definition of Tolman’s length has been proved in the framework of the adopted form of functional. The properties of nuclei of the liquid and the vapor phase are described. The paper determines: the work of formation of a nucleus, density profiles, size dependences of the surface tension, and the parameter ? in the Gibbs-Tolman-Koenig-Buff equation.© 2004 American Institute of Physics.

\\\\Expert2\\NBO\\Journal of Chemical Physics\\2004, v.121, p.8594, V. G. Baidakov.pdf
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18.

19.

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   B 16

    Baidakov, V. G.
    Inclusion of corrections of the highest order of smallness in the Van der Waals capillarity theory [Electronic resource] / V. G. Baidakov, G. Sh. Boltachev // High Temperature. - 2005. - Vol. 43, № 4. - P538-545

ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
VAN-DER-WAALS CHAIN-MOLECULE FLUID
Аннотация: An extended version of the Van der Waals capillarity theory is suggested, which describes the liquid-vapor interface in the temperature range from the triple to critical point. A model functional of thermodynamic potential of a two-phase Lennard-Jones system is suggested, which takes into account the impact of higher terms of gradient expansion. The identity of the thermodynamic and mechanical definitions of the Tolman parameter is proved within the accepted form of the functional. The properties of the liquid and vapor phase nuclei are described. The work of nucleation, the density profiles, and the dimensional dependence of surface tension are determined.

\\\\Expert2\\NBO\\High Temperature\\2005, v.43, p.538.pdf
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