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- W2006595964 abstract "Monte Carlo simulations are carried out for infinitely stiff freely jointed chains interacting with Lennard—Jones (LJC) and truncated—shifted Lennard—Jones (TLJC) potentials. The average intermolecular correlation functions are obtained for 16-mer LJC and TLJC models. Comparison of the correlation functions obtained indicates that the TLJC model is able to represent the structure of the LJC system extremely well at high densities and temperatures. However, at low densities and temperatures, the local molecular structures of these two models are quite different. Compressibility factors for these two models are obtained over a wide range of temperatures and densities. The relative importance of the two- and three-body contributions to the compressibility factor for LJC and TLJC models is examined." @default.
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- W2006595964 date "1994-09-01" @default.
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- W2006595964 title "Monte Carlo simulation of equation of state and structure of chain fluids" @default.
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- W2006595964 doi "https://doi.org/10.1016/0009-2509(94)e0099-c" @default.
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