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  • 1
    Electronic Resource
    Electronic Resource
    Chemical potential prediction in realistic fluid models with scaled particle theory (1990)
    Springer
    International journal of thermophysics 11 (1990), S. 73-86 
    Details
    ISSN: 1572-9567
    Keywords: chemical potential ; Kirkwood charging process ; Lennard-Jones fluid ; scaled particle theory
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A procedure frequently proposed in the literature for calculating chemical potentials relies on the Kirkwood charging process. Numerical problems associated with coupling large repulsive forces can be avoided by estimating the contribution to the chemical potential due to these forces with scaled particle theory. The contribution due to soft repulsive forces and attractive forces can be calculated with the Kirkwood charging process using distribution functions for a test particle obtained from integral equation theories. We have used the accurate HMSA theory of Zerah and Hansen to provide distribution functions in mixtures of Lennard-Jones molecules, and we have used the PYP theory of Lee to scale the distribution functions over the charging process. The theory provides accurate estimates of chemical potentials over a range of densities from gas-like to liquid-like when the reduced temperature kT/ɛ is greater than 2. Accurate results for excess free energy changes of mixing are also obtained at these conditions. At lower temperatures accurate results are obtained for low to moderate reduced densities (ρσ 3⩽0.5).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00503860
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  • 2
    Electronic Resource
    Electronic Resource
    A choice of interpolation schemes for the boundary-element method in elastodynamics (1993)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 9 (1993), S. 375-385 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: It is known that the boundary-element coefficient matrices in steady-state elastodynamics are frequency-dependent. For a multifrequency run, the coefficient matrices have to be reformed at each different frequency. This procedure usually involves heavy numerical integration, and hence is very time consuming. In this paper, two interpolation schemes are initially introduced to accelerate the process of matrix reformation without sacrificing the solution accuracy. In the first scheme, the coefficient matrices are first slightly transformed and then interpolated in the frequency domain. In the second scheme, the Green function is interpolated in the spatial domain. Comparison between these two schemes both in terms of accuracy and efficiency is presented. Finally, a hybrid scheme that takes advantage of the best of both interpolation schemes is proposed. Numerical examples are given to demonstrate the three different interpolation schemes.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640090503
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    Paper (German National Licenses)
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