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A Self-Consistent Theory for the Inter- and Intramolecular Correlation Functions of a Hard-Sphere-Yukawa-Chain Fluids |
| YU Yang-Xin1;WU Jian-Zhong2;YOU Feng-Qi1;GAO Guang-Hua1 |
| 1State Key Laboratory of Chemical Engineering, Department of Chemical Engineering, Tsinghua University, Beijing 100084
2Department of Chemical and Environmental Engineering, University of California, Riverside, California 92521-0425, USA |
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| Cite this article: |
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YU Yang-Xin, WU Jian-Zhong, YOU Feng-Qi et al 2005 Chin. Phys. Lett. 22 246-249 |
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Abstract An extended test-particle method is used to predict the inter- and intramolecular correlation functions of freely jointed hard-sphere-Yukawa-chain fluids by calculating the segmental density distributions around a fixed segment. The underlying density functional theory for chain fluids is based on a modified fundamental measure theory for the hard-sphere repulsive and a mean-field approximation for attraction between different segments. The calculated intra- and inter-molecular distribution functions agree well with the results from Monte Carlo simulations, better than those from alternative approaches.
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| Keywords:
82.35.Lr
61.20.Gy
61.25.Hq
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Published: 01 January 2005
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