Chin. Phys. Lett.  2005, Vol. 22 Issue (1): 246-249    DOI:
Original Articles |
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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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.
Keywords: 82.35.Lr      61.20.Gy      61.25.Hq     
Published: 01 January 2005
PACS:  82.35.Lr (Physical properties of polymers)  
  61.20.Gy (Theory and models of liquid structure)  
  61.25.Hq  
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https://cpl.iphy.ac.cn/       OR      https://cpl.iphy.ac.cn/Y2005/V22/I1/0246
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YU Yang-Xin
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