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Общее количество найденных документов : 52
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 1-10    11-20   21-30   31-40   41-50   51-52 
1.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Effect of the cut-off radius of the intermolecular potential on phase equilibrium and surface tension in Lennard–Jones systems / V. G. Baidakov, G. G. Chernykh, S. P. Protsenko // Chemical Physics Letters. - 2000. - Vol.321, №3-4. - С. 315-320
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR-DYNAMICS SIMULATION -- LIQUID-VAPOR INTERFACE -- LENNARD-JONES FLUID
Аннотация: We present the molecular dynamic simulation results for the liquid–vapour interface of the pure Lennard–Jones fluid. The thermodynamical properties, the surface tension, the effective thickness of interfacial layer and the mean-square amplitude of capillary waves are determined. Calculations have been performed at cut-off radii of the intermolecular potential rc1=2.6σ and rc2=6.78σ. It is shown that the cut-off radius of the interaction potential in the two-phase systems should be chosen to be larger than that in the one-phase systems for an adequate representation of properties

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2.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Effect of the cut-off radius of the intermolecular potential on phase equilibrium and surface tension in Lennard–Jones systems / V. G. Baidakov, G. G. Chernykh, S. P. Protsenko // Chemical Physics Letters. - 2000. - Vol.321, №3-4. - С. 315-320
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR-DYNAMICS SIMULATION -- LIQUID-VAPOR INTERFACE -- LENNARD-JONES FLUID
Аннотация: We present the molecular dynamic simulation results for the liquid–vapour interface of the pure Lennard–Jones fluid. The thermodynamical properties, the surface tension, the effective thickness of interfacial layer and the mean-square amplitude of capillary waves are determined. Calculations have been performed at cut-off radii of the intermolecular potential rc1=2.6σ and rc2=6.78σ. It is shown that the cut-off radius of the interaction potential in the two-phase systems should be chosen to be larger than that in the one-phase systems for an adequate representation of properties

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3.
Инвентарный номер: нет.
   
   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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4.
Инвентарный номер: нет.
   
   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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5.
Инвентарный номер: нет.
   
   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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6.
Инвентарный номер: нет.
   
   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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7.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Metastable States in Liquid–Gas Phase Transition. Simulation by the Method of Molecular Dynamics / V. G. Baidakov, S. P. Protsenko // High Temperature. - 2003. - Vol.41, №2. - С. 195-200
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
LENNARD-JONES -- CLOSE-TO-SPINODAL -- LIQUID
Аннотация: The method of molecular dynamics is used to investigate the p, , T-properties and the structural characteristics of the Lennard–Jones fluid in the stable and metastable states in the liquid–gas phase transition. The calculation results demonstrate the presence of phase separation in molecular models at close-to-spinodal supersaturation. The effect of the cut-off radius of the interparticle potential on the process of phase transformation is analyzed, and the position of spinodal of superheated liquid and supersaturated vapor is estimated

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8.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Metastable States in Liquid–Gas Phase Transition. Simulation by the Method of Molecular Dynamics / V. G. Baidakov, S. P. Protsenko // High Temperature. - 2003. - Vol.41, №2. - С. 195-200
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
LENNARD-JONES -- CLOSE-TO-SPINODAL -- LIQUID
Аннотация: The method of molecular dynamics is used to investigate the p, , T-properties and the structural characteristics of the Lennard–Jones fluid in the stable and metastable states in the liquid–gas phase transition. The calculation results demonstrate the presence of phase separation in molecular models at close-to-spinodal supersaturation. The effect of the cut-off radius of the interparticle potential on the process of phase transformation is analyzed, and the position of spinodal of superheated liquid and supersaturated vapor is estimated

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9.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Molecular-Dynamics Investigation of Phase Equilibrium and Surface Tension in Argon−Neon System [Electronic resource] / V. G. Baidakov, S. P. Protsenko // Journal of Physical Chemistry C. - 2008. - Vol.112, №44. - P17231-17234
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR DYNAMICS METHOD -- ARGON-NEON -- LENNARD-JONES
Аннотация: The molecular-dynamics method has been used for calculating the density profiles of the mixture argon−neon, surface tension, and adsorption in systems of 4096−8957 Lennard−Jones particles at a reduced temperature T* = kBT/εα0.7 ± 0.01 and a pressure up to p* = pσα3/εα = 0.6, where σα and εα are parameters of the argon potential. The results of calculating phase-equilibrium parameters are compared with data for a single-fluid model of a solution. The paper discusses the applicability of an extended version of the van der Waals capillarity theory to the description of the surface tension of a gas-saturated liquid

\\\\Expert2\\nbo\\Journal of Physical Chemistry C\\2008, v. 112, p.17231.pdf
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10.
Инвентарный номер: нет.
   
   B 16


    Baidakov, V. G.
    Molecular-Dynamics Investigation of Phase Equilibrium and Surface Tension in Argon−Neon System [Electronic resource] / V. G. Baidakov, S. P. Protsenko // Journal of Physical Chemistry C. - 2008. - Vol.112, №44. - P17231-17234
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR DYNAMICS METHOD -- ARGON-NEON -- LENNARD-JONES
Аннотация: The molecular-dynamics method has been used for calculating the density profiles of the mixture argon−neon, surface tension, and adsorption in systems of 4096−8957 Lennard−Jones particles at a reduced temperature T* = kBT/εα0.7 ± 0.01 and a pressure up to p* = pσα3/εα = 0.6, where σα and εα are parameters of the argon potential. The results of calculating phase-equilibrium parameters are compared with data for a single-fluid model of a solution. The paper discusses the applicability of an extended version of the van der Waals capillarity theory to the description of the surface tension of a gas-saturated liquid

\\\\Expert2\\nbo\\Journal of Physical Chemistry C\\2008, v. 112, p.17231.pdf
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