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.
ASJC Scopus subject areas
- Physics and Astronomy(all)