| DYNAMIC MONTE CARLO STUDY ON THE CORRELATION BETWEEN SHAPE AND SIZE OF LINEAR POLYMER CHAINS |
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| 作者姓名： | 黄建花 |
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| 作者单位： | Department of |
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| 基金项目： | This work was supported by the National Natural Science Foundation of China (No. 20076038 and No. 20204014). |
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| 摘 要： | The correlation between shape and size of linear chains on the simple cubic lattice is investigated using a dynamicMonte Carlo technique. A positive correlation between the asphericity parameter A and the square of the end-to-end distanceR~2, as well as that between A and the square of the radius of gyration S~2, is found for both RW and SAW chains, indicatingthat a chain conformation of small size is usually more spherical than one of large size. The result can explain why the shapeof the SAW chain deviate much more from a sphere than that of the RW chain, and can also explain the similar dependenceof size and shape on chain stiffness and on the distance of the first bead of a chain from an infinitely large flat surface.
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| 收稿时间： | 2002-02-24 |
| 修稿时间： | 2002-05-13 |
DYNAMIC MONTE CARLO STUDY ON THE CORRELATION BETWEEN SHAPE AND SIZE OF LINEAR POLYMER CHAINS* |
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| Jian-hua Huang,Meng-bo Luo,Shi-jun Han.DYNAMIC MONTE CARLO STUDY ON THE CORRELATION BETWEEN SHAPE AND SIZE OF LINEAR POLYMER CHAINS[J].Chinese Journal of Polymer Science,2003,0(1):65-70. |
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| Authors: | Jian-hua Huang Meng-bo Luo Shi-jun Han |
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| Institution: | 1.Department of Applied Chemistry Zhejiang Institute of Science and Technology Hangzhou 310033; China 2.Department of Physics; Zhejiang University Hangzhou 310027 China Department of Chemistry Zhejiang University Hangzhou 310027; China |
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| Abstract: | The correlation between shape and size of linear chains on the simple cubic lattice is investigated using a dynamicMonte Carlo technique. A positive correlation between the asphericity parameter A and the square of the end-to-end distanceR~2, as well as that between A and the square of the radius of gyration S~2, is found for both RW and SAW chains, indicatingthat a chain conformation of small size is usually more spherical than one of large size. The result can explain why the shapeof the SAW chain deviate much more from a sphere than that of the RW chain, and can also explain the similar dependenceof size and shape on chain stiffness and on the distance of the first bead of a chain from an infinitely large flat surface. |
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| Keywords: | Correlation Dynamic Monte Carlo Polymer chain |
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