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 Найдено в других БД:Каталог книг и продолжающихся изданий (37)Нанотехнологии (1)Труды Института высокотемпературной электрохимии УрО РАН (66)Труды сотрудников Института органического синтеза УрО РАН (76)Труды сотрудников Института химии твердого тела УрО РАН (62)Расплавы (13)Публикации Черешнева В.А. (6)Публикации Чарушина В.Н. (9)Каталог библиотеки ИЭРиЖ УрО РАН (1)Электронная энциклопедия «Дискурсология» (1)
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Общее количество найденных документов : 66
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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 74

    Boltachev, G. Sh.
    First-order curvature corrections to the surface tension of multicomponent systems / G. Sh. Boltachev, J. W. P. Schmelzer, V. G. Baidakov // Journal of Colloid and Interface Sience. - 2003. - Vol.264, №1. - С. 228-236
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
SURFACE TENSION -- PHASE COEXISTENCE -- MULTICOMPONENT SYSTEMS
Аннотация: The dependence of surface tension on curvature is investigated for the case of an equilibrium phase coexistence in multicomponent systems. Employing Gibbs's method of description of heterogeneous systems, an equation is derived to determine the dependence of surface tension on curvature for widely arbitrary paths of variation of the independent thermodynamic parameters. It is supposed hereby merely that the temperature is kept constant and that the variations of the different molar fractions are such that the radius of the dividing surface varies monotonically in dependence on the change of the state parameters of the ambient phase along any of the chosen paths. In the analysis, an approach developed by Blokhuis and Bedeaux for one-component systems is utilized. It relies on the expansion of the surface free energy on curvature of the dividing surface. An equation is derived that connects the first-order correction term in the expansion with the interaction potential of the particles in the multicomponent solution and with the two-particle distribution functions in the planar interfacial layer between the two phases coexisting in equilibrium at planar interfaces. The connection of the first-order curvature correction to the surface tension and the first moment of the pressure tensor at a planar interface is analyzed as well

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3.
Инвентарный номер: нет.
   
   K 75

    Korochkova, E. A.
    Effect of long-range interactions on the surface tension / E. A. Korochkova, G. Sh. Boltachev, V. G. Baidakov // Russian Journal of Physical Chemistry. - 2006. - Vol.80, №3. - С. 445-448
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR-DYNAMICS SIMULATION -- LIQUID-VAPOR INTERFACE -- CAPILLARY WAVES
Аннотация: The effect of long-range interactions on the surface tension at a liquid-gas interface was considered. An analytical expression for the correction to the surface tension for the cutoff of the particle interaction potential at the distance r(c) was derived based on a step density profile. For the Lennard-Jones fluid, this correction was calculated numerically from the results of computer simulations of the density profiles. It was established that, in the vicinity of the triple point, the correction is as great as similar to 6% at the potential cutoff radius r(c) = 6.78 molecular diameters, a quantity insensitive to the form of the density profile in the interfacial layer

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4.
Инвентарный номер: нет.
   
   S 89

    Vshivkov, S. A.
    Effect of molecular dimensions of components on phase transitions in solutions of oligomeric polyethers / S. A. Vshivkov, M. Z. Faizullin // Polymer Science. Series A. - 2009. - Vol.51, №9. - С. 974-978
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
POLYMER-SOLVENT INTERACTION -- POLYSTYRENE -- REGION
Аннотация: The molecular masses and intrinsic viscosities of a series of oligomeric poly(propylene glycols) have been studied by light scattering, analysis of chain ends, viscometry, and the cloud-point method. Phase diagrams are plotted and the Flory-Huggins thermodynamic interaction parameters and the second virial coefficients are calculated for oligomeric poly(propylene glycol)-n-alkane systems. The effects of the molecular dimensions of components on their mutual solubility and positions of boundary curves are determined. UCST decreases with an increase in the size of poly(propylene glycol) macromolecules and increases with an increase in the size of n-alkane mol

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5.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer simulation of the cluster destruction of stratospheric ozone by bromine [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Chinese Physics B . - 2012. - Vol. 21, №11. - P113602
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
BROMINE IONS -- INFRARED AND RAMAN SPECTRA -- WATER CLUSTERS
Аннотация: The interaction of (Br -) iH 2O) 50-i, 0 ≤ i ≤ 6 clusters with oxygen and ozone molecules is investigated by the method of molecular dynamics simulation. The ozone molecules as well as the bromine ions do not leave the cluster during the calculation of 25 ps. The ability of the cluster containing molecular oxygen to absorb the infrared (IR) radiation is reduced in the frequency range of 0 ≤ ω ≤ 3500 cm -1 when the number of the bromine ions in the cluster grows. The intensity of the Raman spectrum is not changed significantly when the Br - ions are added to the ozone-containing system. The power of the emitted IR radiation is increased when the number of bromine ions grows in the oxygen-containing system. The data obtained in this study on the IR and the Raman spectra of the water clusters that contain ozone, oxygen, and Br - can be used to develop an investigation of the mechanisms of ozone depletion

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6.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer study of the effects of ozone absorption by an ultradisperse aqueous medium [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Journal of Engineering Physics and Thermophysics. - 2011. - Vol.84, №6. - P1231-1241
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
EMISSION-POWER SPECTRA -- INFRARED SPECTRA -- WATER CLUSTERS
Аннотация: The interaction of ozone molecules with water clusters at a temperature corresponding to the middle zones of the troposphere and the stratosphere has been studied by the molecular-dynamics method. It has been established that the integral intensities of the infrared absorption spectrum and the Raman spectrum of an ultradisperse aqueous system decrease substantially in absorption of ozone by it. It has been shown that in this case the emission power of the IR-radiation energy stored by the entire ozonized disperse aqueous medium grows

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7.
Инвентарный номер: нет.
   
   K 79

    Koverda, V. P.
    Statistics of fluctuations with a 1/f spectrum at phase transitions in a spatially distributed system / V. P. Koverda, V. N. Skokov // Physica A. - 2011. - Vol. 390, № 13. - С. 2468-2479
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
1/f-NOISE -- FIRST PASSAGE TIME -- AVALANCHES
Аннотация: A study has been made on the statistics of fluctuations in a spatially distributed system, which describes the interaction of nonequilibrium phase transitions. It is shown that at a certain intensity of external white noise acting on phase transitions, the time and spatial spectra of fluctuations have power laws S(f)∼f−α and S(k)∼k−γ. The dependence of the exponents α and γ on the value of the diffusion coefficient determining the spatial interaction of fluctuations have been found. Extreme low-frequency fluctuations has been revealed and distribution functions of their duration P(τ)∼τ−β and size P(s)∼s−ν have been determined. It has been found that the exponent α of the frequency dependence of time spectra and the exponent β of the distribution function of the fluctuation duration are related by the relation α+β=2. The exponent of the spatial spectrum γ and the exponent of the size distribution function ν are related by a similar relation: γ+ν=2. The results of experimental studies on fluctuations in a typical nonequilibrium phase transition such as transient modes of water boiling on a wire heater are presented. It was demonstrated that the critical exponents, which describe the power dependence of power spectra of fluctuations and the amplitude distribution of extreme surges, are related by the relation α+β=2 both in experiments and in the theoretical model of interacting heterogeneous phase transitions

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8.
Инвентарный номер: нет.
   
   S 45

   
    Self-organized criticality and 1/f-noise at interacting nonequilibrium phase transitions / V. N. Skokov, A. V. Reshetnikov, V. P. Koverda, V. P. Koverda, A. V. Vinogradov // Physica A. - 2001. - Vol.293, № 1-2. - С. 1-12
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
SELF-ORGANIZED CRITICALITY -- 1/f FLUCTUATIONS -- POWER SPECTRA
Аннотация: Oscillatory combustion regimes were experimentally investigated under the conditions of ignitable liquid boiling-up before the reaction front. Fluctuations with a power spectral density inversely proportional to frequency (1/f-noise) were observed and the power-law character of distribution functions was found. The phenomena are connected with the intersection and interaction of nonequilibrium phase transitions. A mathematical model describing the initiation of 1/f fluctuations at the interaction of a subcritical phase transition and supercritical one in a space-distributed system was suggested

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9.
Инвентарный номер: нет.
   
   B 74

    Boltachev, G. Sh.
    The Second and Third Virial Coefficients of Simple Fluids [Electronic resource] / G. Sh. Boltachev, V. G. Baidakov // High Temperature. - 2006. - Vol. 44, № 1. - P83-90
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
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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10.
Инвентарный номер: нет.
   
   D 23

    Dashevskaya, E.
    Gyroscopic Effect in Low-Energy Classical Capture of a Rotating Quadrupolar Diatom by an Ion [Текст] / E. Dashevskaya, I. Litvin, E. D. Nikitin // Journal of Physical Chemistry A. - 2006. - Vol. 110, № 9. - С. 2876-2884
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
GYROSCOPIC EFFECT
Аннотация: The low-energy capture of homonuclear diatoms by ions is due mainly to the long-range part of the interpartner potential with leading terms that correspond to charge?quadrupole interaction and charge-induced dipole interaction. The capture dynamics is described by the perturbed-rotor adiabatic potentials and the Coriolis interaction between manifold of states that belong to a given value of the intrinsic angular momentum. When the latter is large enough, it can noticeably affect the capture cross section calculated in the adiabatic channel approximation due to the gyroscopic property of a rotating diatom. This paper presents the low-energy (low-temperature) state-selected partial and mean capture cross sections (rate coefficients) for the charge?quadrupole interaction that include the gyroscopic effect (decoupling of intrinsic angular momentum from the collision axis), quantum correction for the diatom rotation, and the correction for the charge-induced dipole interaction. These results complement recent studies on the gyroscopic effect in the quantum regime of diatom?ion capture

\\\\Expert2\\NBO\\Journal of Physical Chemistry A\\2006, v.110 p.2876.pdf
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