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| Combinational simulations of free energy of polymer solution | |
| 引用本文： | 赵得禄,杨小震,贺子如,黄昀. Combinational simulations of free energy of polymer solution[J]. 中国科学B辑(英文版), 1996, 0(1) |
| 作者姓名： | 赵得禄 杨小震 贺子如 黄昀 |
| 作者单位： | Polymer Physics Laboratory，Institute of Chemistry，Chinese Academy of Sciences，Beijing 100080，China，Polymer Physics Laboratory，Institute of Chemistry，Chinese Academy of Sciences，Beijing 100080，China，Polymer Physics Laboratory，Institute of Chemistry，Chinese Academy of Sciences，Beijing 100080，China，Physics Department，Peking University，Beijing 100871，China |
| 基金项目： | Project supported by the National Key Project for Fundamental Research 'Macromolecular Condensed State', the State Science，Technology Commission of China. |
| 摘 要： | It is conceptually proposed that the total entropy of polymer solution is contributed from two distinct parts: the positional and the oomformational. The former can be represented analytically, while the latter can be simulated with the random self-avoiding walk model on the simple cubic lattice for multichain systems. The obtained results indicated that both the conformational entropy and the mixing heat are consistent with the scaling laws wry well. |
Combinational simulations of free energy of polymer solution |
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| ZHAO Delu YANG Xiaozhen HE Ziru. Combinational simulations of free energy of polymer solution[J]. Science in China(Chemistry), 1996, 0(1) | |
| Authors: | ZHAO Delu YANG Xiaozhen HE Ziru |
| Abstract: | It is conceptually proposed that the total entropy of polymer solution is contributed from two distinct parts: the positional and the oomformational. The former can be represented analytically, while the latter can be simulated with the random self-avoiding walk model on the simple cubic lattice for multichain systems. The obtained results indicated that both the conformational entropy and the mixing heat are consistent with the scaling laws wry well. |
| Keywords: | Monte Carlo simulation polymer solution conformational entropy mixing heat scaling law. |
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