Abstract
Monte Carlo simulation method has been used to study angular correlations in the fluid of hard spherocylinders of the length/breadth ratio equal to 1.4,1.6, and 2.0, respectively. The correlation functions have been evaluated both by means of the spherical harmonic expansion and directly (at specific orientations) which enabled us to examine convergence of the former approach. The possibility of the ‘bottleneck effect’ has been investigated as well using two different simulation schemes.
Similar content being viewed by others
References
Barker J. A., Henderson D., Rev. Mod. Phys.48 (1976), 587.
Boublik T., Nezbeda I., Trnka O., Czech. J. Phys. B26 (1976), 1081.
Nezbeda I., Boublik T., Czech. J. Phys. B28 (1978), 353.
Nezbeda I., Chem. Phys. Letters41 (1976), 55.
Boublik T., Fluid Phase Equil.1 (1977), 37.
Monson P. A., Rigby M., Chem. Phys. Letters58 (1978), 122.
Streett W. B., Gubbins K. E., Ann. Rev. Phys. Chem.28 (1977), 373.
Rose M. E., Elementary theory of angular momentum. J. Wiley, New York 1957.
Steele W. A., J. Chem. Phys.39 (1963), 3197.
Vieillard-Baron J., Mol. Phys.28 (1974), 809.
Few G. A., Rigby M., Chem. Phys. Letters20 (1973), 433.
Streett W. B., Tildesley D. J., Proc. Roy. Soc. (London) A348 (1976), 485.
Metropolis M., Rosenbluth M. N., Rosenbluth A. W., Teller A. H., Teller E., J. Chem. Phys.21 (1953), 1087.
Boublik T., Mol. Phys.32 (1976), 1737.
Streett W. B., Tildesley D. J., Proc. Roy. Soc. (London) A355 (1977), 239.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Nezbeda, I. Monte Carlo study of hard spherocylinders. III. The angular correlation functions. Czech J Phys 30, 601–612 (1980). https://doi.org/10.1007/BF01595632
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF01595632