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DYNAMICAL MONTE CARLO SIMULATIONS ON THE ENTROPY OF POLYMER CHAINS CONFINED BETWEEN TWO PARALLEL PLATES
平行板间高分子链构象熵的动力学Monte Carlo模拟

Keywords: 受限高分子链,Monte,Carlo模拟,扫描法,构象熵

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Abstract:

Dynamic Monte Carlo simulations are performed for polymer chains confined between two parallel plates.The configurational entropy S of the polymer chain is calculated by using the scanning method,and the influence of the distance D between the two parallel plates and chain length n on the entropy is studied.The dependence of entropy reduction (S0-S) on D verifies the scaling results of de Gennes.Moreover,our results give the regime of the scaling results.When D is very small,the polymer chains are confined markedly,and S0-S is proportional to the polymer chain length.The latter indicates that the average repulsive force of the two plates exerting on one segment tends to be independent of the chain length.With the increase of D,the influence of the two parallel plates on the entropy becomes weaker and weaker,and the average repulsive force exerting on one segment increases with the chain length.At large D,the influence of the plates on the entropy can be ignored,and the configurational entropy becomes the same as that in the free space.

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