Viscosity and thermal conductivity of cesium vapor at high temperatures

Ghatee, Mohammad Hadi; Sanchooli, M.

doi:10.1016/s0378-3812(03)00352-2

Cited by 11 publications

(27 citation statements)

References 12 publications

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“…In addition, the results reported by Koshevnikov et al [12] show that liquid cesium obeys a simple LJ (8.5-4) potential energy function with pair-wise additive interactions. Similar findings are reported by Ghatee and Sanchooli [13], Ghatee et al [14] and Ghatee and Niroomand-Hosseini [28]. In this work, we first check the validity of LJ-type pair-wise additive forces, as the inclusion of multi-body interactions will considerably increase the simulation times.…”

Section: Theorysupporting

confidence: 78%

“…In 2003, Ghatee and Sanchooli [13] adopted the conclusion by Kozhevnikov et al [12] and reported the linearity of (Z-1)V -8.5/3 vs. U -4.5/3 , where Z is the compressibility factor and U is the density. They also applied this potential to calculate the transport properties of cesium vapor at high temperatures and concluded that LJ (8.5-4) potential energy function well describes the PVT properties of liquid cesium as well as the transport properties of low density gaseous cesium [13].…”

Section: Theorymentioning

confidence: 96%

“…On the one hand, it is known that liquid metals do not obey pair-wise additive potentials [9][10][11]. On the other hand, some new reports on the development of equation of state for liquid alkali metals show the validity of a simple LJtype potential with pair-wise additive interactions [12][13][14].…”

Section: Introductionmentioning

confidence: 99%

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Molecular dynamics simulation of potassium along the liquid-vapor coexistence curve

Eslami

Mozaffari

Moghadasi

2010

JICS

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The applicability of pair potential functions to liquid alkali metals is questionable. On the one hand, some recent reports in the literature suggest the validity of two-parameter pair-wise additive Lennard-Jones (LJ) potentials for liquid alkali metals. On the other hand, there are some reports suggesting the inaccuracy of pair potential functions for liquid metals. In this work, we have performed extensive molecular dynamics simulations of vapor-liquid phase equilibria in potassium to check the validity of the proposed LJ potentials and to improve their accuracy by changing the LJ exponents and taking into account the temperaturedependencies of the potential parameters. We have calculated the orthobaric liquid and vapor densities of potassium using LJ (12-6), LJ (8.5-4) and LJ (5-4), effective pair potential energy functions. The results show that using an LJ (8.5-4) potential energy function with temperature-independent parameters, İ and ı, is inadequate to account for the vapor-liquid coexistence properties of potassium. Taking into account the temperature-dependencies of the LJ parameters, İ(T) and ı(T), we obtained the densities of coexisting liquid and vapor potassium in a much better agreement with experimental data. Changing the magnitude of repulsive and attractive contributions to the potential energy function shows that a two-parameter LJ (5-4) potential can well reproduce the densities of liquid and vapor potassium. The results show that LJ (5-4) potential with temperature-dependent parameters produces the densities of liquid and vapor potassium more accurately, compared to the results obtained using LJ (12-6) and LJ (8.5-4) potential energy functions.

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Section: Theorysupporting

confidence: 78%

Section: Theorymentioning

confidence: 96%

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Molecular dynamics simulation of potassium along the liquid-vapor coexistence curve

Eslami

Mozaffari

Moghadasi

2010

JICS

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“…Since the LJ (8.5-4) potential function produces perfect linear isotherms over the whole liquid range, 34 it can be concluded that it is the best fit to the equilibrium (experimental PVT) data. On the contrary, the Table 1.…”

Section: -1 Potential Function and Molecular Parametersmentioning

confidence: 99%

Hard-wall potential function for transport properties of alkali metal vapors

Ghatee

Hosseini

2007

The Journal of Chemical Physics

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This study demonstrates that the transport properties of alkali metals are determined principally by the repulsive wall of the pair interaction potential function. The (hard-wall) for K in the range 700-1500 K, 1.69% for Rb, and 1.75% for Cs in the range 700-2000 K. In the same way, the values of predicted thermal conductivity are in agreement with experiment within 2.78%, 3.25%, and 3.63% for K, Rb, and Cs, respectively. The LJ(15-6) hybrid potential with a hard-wall repulsion character conclusively predicts best transport properties of the three alkali metals vapor.

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“…These studies have shown that at high densities an alkali metal atom interacts with a soft core repulsion at small interatomic distances, and with a weak attraction at intermediate interatomic range [14,8]. [17], from freezing point up to the critical point. We have noticed that the same potential function is applicable to liquid rubidium, however, with much higher accuracy.…”

Section: Resultsmentioning

confidence: 99%

Equation of state and manifestation of non-spherical contribution of interaction potential in liquid rubidium metal

Ghatee

Hosseini

2006

Fluid Phase Equilibria

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A semi-empirical equation of state is presented for the liquid rubidium metal. The Lennard-Jones (8.5-4) potential model, which originally has been derived for liquid cesium metal, is found to be suitable for modeling of liquid rubidium metal as well. By applying the experimental PVT data of compressed liquid metal in the range 500 K to 1600 K, the slope B , and intercept C , of the linear isotherms are B quite well, though some deviations at low s ' T exist.

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Viscosity and thermal conductivity of cesium vapor at high temperatures

Cited by 11 publications

References 12 publications

Molecular dynamics simulation of potassium along the liquid-vapor coexistence curve

Molecular dynamics simulation of potassium along the liquid-vapor coexistence curve

Hard-wall potential function for transport properties of alkali metal vapors

Equation of state and manifestation of non-spherical contribution of interaction potential in liquid rubidium metal

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