Monte Carlo studies of the excluded volume problem for polymer chains in the continuum. I. Use of inversely restricted sampling techniques

Abstract

Recent publications on the configurational properties of polymer chains subject to excluded volume restraints, as deduced from studies of off-lattice model chains, are briefly reviewed. It is shown that the data for such models cast doubt on the validity of the frequently quoted equations (R_N²)=aN^6/5 and (S_N²)=a'N^6/5 where (R_N²) and (S_N²) are respectively the mean square end-to-end length and mean square radius of gyration of N-link chains, and a and a' are constants. The use of the technique of inversely restricted sampling to generate off-lattice model chains, with either freely varying or fixed bond angles, and free rotation about bonds, is described.