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 1-10    11-18 
1.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    Thermal and caloric equations of state for stable and metastable Lennard-Jones fluids. I. Molecular-dynamics simulations [Electronic resource] / V. G. Baidakov, S. P. Protsenko, Z. R. Kozlova // Fluid Phase Equilibria. - 2008. - Vol. 263, № 1. - P55-63
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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2.
Инвентарный номер: нет.
   
   M 61

   
    Metastable extension of the liquid-vapor phase equilibrium curve and surface tension [Electronic resource] / V. G. Baidakov, S. P. Protsenko, Z. R. Kozlova, G. G. Chernykh // Journal of Chemical Physics. - 2007. - Vol. 126, № 21. - P214505/1-214505/9
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
LIQUID
Аннотация: The method of molecular dynamics has been used to calculate the parameters of liquid-vapor phase equilibrium and the surface tension in a two-phase system of 4096 Lennard-Jones particles. Calculations have been made in a range from the triple point to near-critical temperature and also at temperatures below the triple point corresponding to the metastable equilibrium of a supercooled liquid and supersaturated vapor. To determine the surface tension, along with a mechanical approach a thermodynamic one has been used as well. The latter was based on calculation of the excess internal energy of an interfacial layer. It has been shown that in accuracy the thermodynamic approach is as good as the more sophisticated mechanical one. Low-temperature asymptotics of the phase-equilibrium curve and also of liquid and vapor spinodals have been considered in the Lennard-Jones and the van der Waals models. The behavior of the surface tension and the excess internal energy of an interfacial layer at T>0 is discussed.

\\\\Expert2\\NBO\\Journal of Chemical Physics\\2007, v.126, p.214505.pdf
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3.
Инвентарный номер: нет.
   
   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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4.
Инвентарный номер: нет.
   
   S 66

    Skripov, V. P.
    Melting Line Prolongation and Spinodals of Stretched Crystal and Liquid [] / V. P. Skripov, M. Z. Faizullin // Doklady Akademii Nauk (Russia). - 2006. - V. 407, N 2. - С. 179-182: il., tabl. - Bibliogr.: p. 182 (13 ref.) . - ISSN 0869-5652
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
LINE PROLONGATION -- SPINODALS -- STRETCHED CRYSTAL -- LIQUID

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5.
Инвентарный номер: нет.
   
   S 66

    Skripov, V. P.
    The spinodal approximation by the method of scattering of light in (n-herane + n-tetradecafluoroherane) / V. P. Skripov, G. I. Pozharskaya, N. L. Kasapova, Yu. D. Kolpakov // Journal of Chemical Thermodynamics. - 1984. - Vol. 16. - С. 267-272
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
SPINODALS -- N-HEXANE -- N-TETRADECAFLUOROHERANE

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6.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    The self-diffusion coefficient in metastable states of a Lennard-Jones fluid / V. G. Baidakov, Z. R. Kozlova // Chemical Physics Letters. - 2010. - Vol.500, №1-3. - С. 23-27
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR-DYNAMICS SIMULATION -- CRITICAL POINTS -- VISCOSITY
Аннотация: Molecular-dynamics computer simulation has been used to calculate the self-diffusion coefficient of a Lennard-Jones fluid in the interval of reduced temperatures T* = 0.35-2.0, through mean-squared particles displacements and the velocity autocorrelation function. Calculations have been performed for systems in stable and metastable states up to the boundary of spontaneous nucleation in a model of a fluid consisting of 2048 particles. The values of the self-diffusion coefficient on the spinodals of a superheated liquid and supersaturated vapor have been determined. It has been established that in the region of supercooled states of the liquid phase on an isotherm the logarithm of the self-diffusion coefficient is a linear function of the pressure

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7.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    Metastable extensions of phase equilibrium lines and singular points of simple substance / V. G. Baidakov, S. P. Protsenko // Journal of Experimental and Theoretical Physics. - 2006. - Vol.103, №6. - С. 876-886
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
THERMODYNAMIC PROPERTIES -- CRYSTAL -- LIQUID -- GAS
Аннотация: The thermodynamic properties of crystal, liquid, and gas in the stable and metastable states have been determined by molecular dynamics simulation of a system of 2048 Lennard-Jones particles. The spinodals of a superheated crystal, a superheated liquid, and a supersaturated vapor have been approximated; the spinodal for a supercooled liquid turns out to be nonexistent. The liquid-vapor, liquid-crystal, and crystal-vapor equilibrium curves and their extensions beyond the triple point have been calculated. It has been shown that, as distinct from the metastable extension of the saturation curve, which terminates at the zero isotherm, the metastable melting and sublimation curves terminate at, respectively, the stretched liquid and superheated crystal spinodals. The properties of the critical end points of metastable equilibrium of extended phases are considered

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8.
Инвентарный номер: нет.
   
   B 74

    Boltachev, G. Sh.
    The thermodynamic properties of nitrogen, argon, oxygen, and their mixtures in the region of the liquid-gas phase transition / G. Sh. Boltachev, V. G. Baidakov // Russian Journal of Physical Chemistry. - 2006. - Vol.80, №4. - С. 501-504
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
EQUATION OF STATE -- PRESSURES -- MPA
Аннотация: A procedure for constructing the equation of state for metastable and labile regions in the liquid gas phase transition is suggested. A consistent description of p, rho, T, and caloric properties was obtained. The spinodals of both pure fluids and their mixtures were located

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9.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    Metastable phase equilibria in a Lennard-Jones system / V. G. Baidakov, S. P. Protsenko // Journal of Engineering Thermophysics. - 2007. - Vol.16, №4. - С. 249-258
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
METHOD MOLECULAR DYNAMICS -- INTERNAL ENERGY -- LENNARD-JONES
Аннотация: A method of molecular dynamics is used to calculate the pressure, internal energy, and isochoric heat capacity in a system of 2048 Lennard-Jones particles in the range of reduced temperatures from 0.1 to 2.0 and the range of densities from 0.001 to 1.15. Local equations of state for the gas, liquid, and crystalline phases are derived. The spinodals of a superheated (extended) liquid, supersaturated vapor, and superheated (extended) crystal are determined. It is shown that the spinodal of a supercooled liquid is nonexistent. An algorithm to calculate the lines of phase equilibria is constructed. The lines of liquid-gas, liquid-crystal, crystal-gas phase equilibria, and their metastable extensions are determined. It is shown that the metastable extensions of the melting and sublimation lines terminate at the spinodals of the liquid and crystal, respectively. The properties of final critical points in the lines of melting and sublimation are considered

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10.
Инвентарный номер: нет.
   
   B 16

    Baidakov, V. G.
    Thermal and caloric equations of state for stable and metastable Lennard-Jones fluids. I. Molecular-dynamics simulations [Electronic resource] / V. G. Baidakov, S. P. Protsenko, Z. R. Kozlova // Fluid Phase Equilibria. - 2008. - Vol. 263, № 1. - P55-63
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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