Continuous two-domain equations of state for the description of the pressure-specific volume-temperature behavior of polymers

Abstract

The two-domain Schmidt equation of state (EoS), which describes the pressure-specific volume-temperature (pvT) behavior of polymers in both the equilibrium molten/liquid state and non-equilibrium solid/glassy state, is often used in the simulation of polymer processing. However, this empirical model has a discontinuity problem and low fitting accuracy. This work derived a continuous two-domain pvT model with higher fitting accuracy compared with the Schmidt model. The cooling rate as an obvious influencing factor on the pvT behavior of polymers was also considered in the model. The interaction parameters of the equations were fitted with the experimental pvT data of an amorphous polymer, acrylonitrile-butadiene-styrene (ABS), and a semi-crystalline polymer, polypropylene (PP). The fitted results by the continuous two-domain EoS were in good agreement with the experimental data. The average absolute percentage deviations were 0.1% and 0.16% for the amorphous and semi-crystalline polymers, respectively. As a result, the present work provided a simple and useful model for the prediction of the specific volume of polymers as a function of temperature, pressure, and cooling rate.