Concentration dependence of static chain properties, 1. Monte carlo simulations in a cubic lattice

Abstract

Abstract Monte Carlo simulations of 5‐way cubic lattice chains have been performed over the whole concentration range starting with the isolated chain up to totally dense systems devoid of any vacancies. Athermal as well as θ‐conditions have been investigated in order to give a complete description of the changes with respect to the global size and shape characteristics of the coils on the one hand and to connect these findings to the behaviour of local bond‐structures on the other hand. Especially, we have found that the global dimensions of an isolated θ‐chain are already reached by bulk chains at a volume fraction of approximately 0,7. However, the comparable global size and shape is realized in a totally different way on a local scale which is obviously due to the different behaviour of inter‐ and intramolecular forces.