Thermodynamic and structural properties of Yukawa hard chains

The thermodynamic and structural properties of Yukawa hard chains are consi dered in this work. We specifically examined the influence of the Yukawa po tential range parameter lambda on the thermodynamic properties, inter- and intrachain correlation functions of the chain fluid. The compressibility fa ctor or pressure of Yukawa chain fluids was calculated via a first-order pe rturbation theory using hard-sphere chain fluid as a reference. Monte Carlo simulations were performed to calculate the thermodynamic properties and i nter- and intrachain correlation functions of the fluid for lambda =1.8 and 3.0. Simulation results for the compressibility were compared with calcula tions from the first-order perturbation theory and the Statistical Associat ing Fluid Theory-Variable Range (SAFT-VR) model. We found that both theorie s represent the simulated data very well. In particular, the SAFT-VR equati on provides an excellent estimate of the properties of Yukawa hard chains o ver wide ranges of temperature and density. Simulated data for interchain a nd intrachain correlation functions reveal that the local structure of the Yukawa hard chains is strongly effected by the range parameter of the poten tial. (C) 2001 American Institute of Physics.