ZHAO De-lu, HUANG Yun. MONTE CARLO SIMULATION OF POLYMER CHAIN COMFORMATIONS: COMFORMATIONAL ENTROPY OF SINGLE CHAIN[J]. Acta Polymerica Sinica, 1989,(3):310-315.
ZHAO De-lu, HUANG Yun. MONTE CARLO SIMULATION OF POLYMER CHAIN COMFORMATIONS: COMFORMATIONAL ENTROPY OF SINGLE CHAIN[J]. Acta Polymerica Sinica, 1989,(3):310-315.DOI:
In this paper a new.approximate.method,which is called "The Conformational Counting Method”,for estimating the conformational entropy of polymer chains has been proposed.The method is applied to random self-avoiding walks on simple cubic lattice.In the range of chain step number n=7~19 the entropy data obtained by this method are consistent perfectly with their precise value and the deviation is smaller than 0.04% (sample sizes~2,ooo).In the range of n up to 26 of chains confined in a cubic box of side length 2 the entropy data are consistent very good also with their precise value obtained bv means of directly counting all conforma-tions.The deviation is smaller than 0.6% (sample sizes~2,000).In the range of n up to 2,100 of free chains
the entropy data confirm the renormalization group prediction:S/K=nlnμ+(γ-1)lnn+In Co where k is Bottzmann constant,μ=4.6838,γ=7/6 and Co=1.17.For all chain step number deviations are negative and within 0.8% (sample size8~300).The way to improve the accuracy is suggested.