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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 72 (1987), S. 291-295 
    ISSN: 1432-2234
    Keywords: Polymer-Brownian dynamics ; Scaling ; Parallel processing
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The LCAP (loosely coupled array of processors) parallel processing systems developed at IBM Kingston have been employed in the simulation of Brownian dynamics on ring polymers. Significant speedups over the serial version of the FORTRAN code have been obtained by using bulk shared memories to expedite information passing between the attached array processors. In this manner we have been able to obtain data for chains with 128 and 256 units. Data on these larger chains indicate that the radius of gyration follows the predicted power law.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    International journal of thermophysics 9 (1988), S. 985-992 
    ISSN: 1572-9567
    Keywords: compressibility ; data analysis ; mixtures ; virial coefficients
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The compressibility factor of multicomponent systems can be obtained in terms of virial coefficients of the pure components and their binary mixtures. This paper concerns a method with which, for that purpose, the second and third virial coefficients for these binaries have been determined from experimental data. From useful data, second and third virial coefficients are obtained as a quadratic function of the temperature. The density domain for which these results are applicable is discussed. When ample data are available, results for a sample mixture can be obtained in a straightforward manner. Nevertheless, it is shown that under much less favorable conditions—sometimes even when pure-component data are lacking—fairly good results can still be obtained. In that case, the choice for an appropriate combining rule has to be considered carefully. Finally, the involvement of ternary mixture data, both obtained experimentally and predicted by the equation, is considered.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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