References
- Wunderlich , B. , Grebowicz , J. and Baur , H. 1988 . Adv. Polym. Sci. , 87 : 1
- Grossmann , H. P. 1981 . Polym. Bull. , 5 : 137
- The geometric mean was preferred over the arithmetic mean because the former led to a simpler final form of the interaction potential. For the model parameters used in this work the difference between the geometric and arithmetic means was insignificant (within 3.5%)
- Wood , W. 1968 . Physics of simple Liquids , Edited by: Temperley , H. N. V. , Rowlinson , J. S. and Rushbrooke , G. S. 115 Amsterdam : North Holland .
- Sumpter , B. G. , Noid , D. W. and Wunderlich , B. 1990 . J. Chem. Phys. , 93 ( 9 ) : 6875
- The resulting potential is, in many respects, similar to the modified overlap potential suggested by Gay and Berne7 to mimic site-site potentials of linear molecules. Both of the potentials have an ellipsoidal repulsive core and a (6–12) power dependence on the intermolecular separation. Both potentials have a deeper potential well for the side-by-side orientation of the two particles, compared to the end-to-end orientation. At the same time, the potential of Gay and Berne is more flexible because it involves several adjustable parameters, which can be fitted so as to mimic a site-site potential for any linear molecule. The potential function given by Equation (10) is not intended for this purpose and is not so flexible. Its flexibility can however be easily improved, if necessary, by using a more complicated analytical dependence of εij on α than that given by Equation (9)
- Gay , J. G. and Berne , B. J. 1981 . J. Chem. Phys. , 74 ( 6 ) : 3316