Fused hard sphere chains: Difference between revisions
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An effective number of monomers can be applied to the fused hard sphere chain model by using the relarion (Ref. 4 Eq. 2.18) | An effective number of monomers can be applied to the fused hard sphere chain model by using the relarion (Ref. 4 Eq. 2.18) | ||
<math>m_{\rm effective} = \frac{[1+(m-1)L^*]^3}{[1+(m-1)L^*(3-L^{*2})/2]^2}</math> | :<math>m_{\rm effective} = \frac{[1+(m-1)L^*]^3}{[1+(m-1)L^*(3-L^{*2})/2]^2}</math> | ||
where ''m'' is the number of monomer units in the model, and <math>L^*=L/\sigma</math> is the reduced bond length. | where ''m'' is the number of monomer units in the model, and <math>L^*=L/\sigma</math> is the reduced bond length. |
Revision as of 14:59, 18 July 2007
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In the fused hard sphere chain model the molecule is built up form a string of overlapping hard sphere sites, each of diameter .
An effective number of monomers can be applied to the fused hard sphere chain model by using the relarion (Ref. 4 Eq. 2.18)
where m is the number of monomer units in the model, and is the reduced bond length.
The volume of the fused hard sphere chain is given by (Ref. 5 Eq. 13)
and the surface area is given by (Ref. 5 Eq. 12)
See also
References
- M. Whittle and A. J. Masters "Liquid crystal formation in a system of fused hard spheres", Molecular Physics 72 pp. 247-265 (1991)
- 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)
- Yaoqi Zhou, Carol K. Hall and George Stell "Thermodynamic perturbation theory for fused hard-sphere and hard-disk chain fluids", Journal of Chemical Physics 103 pp. 2688-2695 (1995)
- T. Boublík, C. Vega, and M. Diaz-Peña "Equation of state of chain molecules", Journal of Chemical Physics 93 pp. pp. 730-736 (1990)