In this work, we develop a method for estimating pure-component parameters for polymers
for the PC-SAFT equation of state. Our method is based on pure-polymer PVT data and …

A simplified perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state
is applied to polymer systems that include a variety of non-associating (esters, cyclic …

A recently developed equation of state (simplified PC-SAFT) has been used to calculate
binary liquid–liquid equilibria for polymer–solvent systems. A number of different polymers …

The provision of thermodynamic properties is essential for the design of optimal processes
in industry. In this manuscript, five examples from the thermophysical-property group of …

Thermodynamic phase equilibrium calculations for systems containing polymers and/or
many molecular species are computationally expensive and difficult because the number of …

An algorithm for the real-time prediction of multi-component solid–liquid equilibrium (SLE) in
a polyethylene (PE) process flowsheet has been attempted. While most of the available …

In this thesis, molecular simulation techniques are used to describe realistic polyolefin melts
and polyolefin mixtures of industrial importance. In order to study the systems of interest; a …