Rigid fully flexible fused hard sphere model
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[edit]
For the tangential case the excluded volume is given by [3].
References[edit]
- ↑ 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)
- ↑ 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)
- ↑ 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
- Tao Jiang and Jianzhong Wu "Isotropic-nematic phase transition in athermal solutions of rod-coil diblock copolymers", Journal of Chemical Physics 127 034902 (2007)
- Bernardo Oyarzún, Thijs van Westen and Thijs J. H. Vlugt "Isotropic-nematic phase equilibria of hard-sphere chain fluids—Pure components and binary mixtures", Journal of Chemical Physics 142 064903 (2015)