A simplified equation of state for polymer melts from perturbed Yukawa hard-sphere chain

摘要

This paper addresses the modeling of the pressure-volume-temperature (PVT) properties of 14 polymer melts using simplified Yukawa hard-sphere-chain equation of sate (EOS) plus first-order perturbation theory. Three pure-component parameters appeared in the EOS have been determined via the volumetric data. These parameters reflect the segment number, non-bonded segment-segment interaction energy, and segment size. Likewise, this study considered chains that interact through a range-parameter of Yukawa potential with 1.8. The reliability of the proposed model has been assessed by comparing the results with 1,315 experimental data points over a broad range of pressures and temperatures for which, their measured values were available in the literature. Our calculations on the specific volume of studied liquid polymers reproduce very accurately the experimental PVT data. The overall average absolute deviation of the calculated specific volumes from literature data was found to be 0.89 %.