Rigid fully flexible fused hard sphere model

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The RFFFHS for the case of 10 rigid + 5 flexible with overlap

The rigid fully flexible fused hard sphere model (RFFFHS) consists of a fused hard sphere chain in which one section is rigid and the rest of the molecule is flexible [1] [2].

Excluded volume

For the tangential case the excluded volume is given by [3].

References

  1. ↑ Carl McBride, Carlos Vega, and Luis G. MacDowell "Isotropic-nematic phase transition: Influence of intramolecular flexibility using a fused hard sphere model" Physical Review E 64 011703 (2001)
  2. ↑ Carl McBride and Carlos Vega "A Monte Carlo study of the influence of molecular flexibility on the phase diagram of a fused hard sphere model", Journal of Chemical Physics 117 pp. 10370-10379 (2002)
  3. ↑ Thijs van Westen, Thijs J. H. Vlugt, and Joachim Gross "An analytical approximation for the orientation-dependent excluded volume of tangent hard sphere chains of arbitrary chain length and flexibility", Journal of Chemical Physics 137 044906 (2012)
Related reading
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