| 高分子熔体结晶的两维计算机模拟 |
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| 引用本文： | 胡文兵 于同隐. 高分子熔体结晶的两维计算机模拟[J]. 高等学校化学学报, 1994, 15(7): 1099-1101 |
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| 作者姓名： | 胡文兵 于同隐 |
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| 作者单位： | 复旦大学高分子科学系，复旦大学材料科学系 |
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| 摘 要： | 高分子熔体结晶的两维计算机模拟胡文兵，于同隐，卜海山（复旦大学高分子科学系，复旦大学材料科学系，上海，２００４３３）关键词计算机模拟，有序相变，高分子１９５６年Ｆｌｏｒｙ［１］从平均场近似的格子模型证明：高分子链的非柔顺性会导致长链的完全有序排列．此...
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| 关 键 词： | 计算机模拟 熔体结晶 高聚物 |
Two Dimensional Computer Simulation of Polymer Melts |
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| HU Wen-Bing,YU Tong-Yin,BU Hai-Shan. Two Dimensional Computer Simulation of Polymer Melts[J]. Chemical Research In Chinese Universities, 1994, 15(7): 1099-1101 |
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| Authors: | HU Wen-Bing YU Tong-Yin BU Hai-Shan |
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| Abstract: | The computer simulation of polymer system with limited chain length and high density was performed on a square lattice in order to study the details of the disordered vs ordered states of bulk polymers as a function of chain flexibility and temperature.The static and dynamic properties of athermal chain systems are in agreement with polymer melts.Assuming an intramolecular energy E_c and an intermolecular energy E_p,we have simulated metastable nematic ordered state and lamellar ordered state by introducing E_p/E_c=0 and E_p/E_c=l respectively.The relation of these results to the real symmetrical polymers such aspolyethylene was discussed.Also,the trends of chain regular folding were observed in these metastable ordered states. |
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| Keywords: | Computer simulation Phase transition Polymer |
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