Journal article
Application of the Perturbed Chain SAFT Equation of State to Complex Polymer Systems using Simplified Mixing Rules
Department of Systems Biology, Technical University of Denmark1
Center for Phase Equilibria and Separation Processes, Department of Chemical and Biochemical Engineering, Technical University of Denmark2
Department of Chemical and Biochemical Engineering, Technical University of Denmark3
Center for Energy Resources Engineering, Centers, Technical University of Denmark4
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 hydrocarbons), polar (ketones) as well as associating (amines, alcohols) solvents. The solvent pure-component parameters that are not available in the literature are estimated by correlating vapor-pressure and liquid-density data.
The performance of the simplified PC-SAFT is compared to the original PC-SAFT equation of state for polymer systems of varying complexity. It is shown that the applied simplification is not at the expense of the accuracy of equation of state, while the computational time and complexity are significantly reduced, especially for associating systems.
With no binary interaction parameter, simplified PC-SAFT is successfully able to predict vapor–liquid equilibria of polymers with non-associating solvents. In the case of associating solvents, a small binary interaction parameter kij is usually needed for the satisfactory correlation of the experimental data.
| Language: | English |
|---|---|
| Year: | 2004 |
| Pages: | 71-78 |
| ISSN: | 18790224 and 03783812 |
| Types: | Journal article |
| DOI: | 10.1016/S0378-3812(03)00363-7 |
| ORCIDs: | von Solms, Nicolas and Kontogeorgis, Georgios |
