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| The elastic behavior of the polymer chain has been investigated in a three-dimensional off-lattice model. We sample enough conformations of each kind of polymer chain by using Monte Carlo Algorithm, then analyse them with the non-Gaussian theory of rubberlike elasticity, and make statistical process at last. Through observing the effect of the chain flexibility and the stretching ratio on the mean-square end-to-end distance, the average energy, the average Helmholtz free energy, the elastic force, the contribution of energy to the elastic force, and the entropy contribution to elastic force of the polymer chain, we find that a rigid polymer chain is much easier to be stretched than a flexible polymer chain. And a rigid polymer chain will become difficult to be stretched only at a quite high stretching ratio because of the effect of the entropy contribution. These results of our simulation calculation may explain some of the macroscopic phenomena of polymer and biomacromoleculer elasticity. |
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| Keywords:Polymer Chain;stretching;elastic behavior;computer simulation |
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