Journal article
Computational and Physical Performance of a Modified PC-SAFT Equation of State for Highly Asymmetric and Associating Mixtures
In
Industrial and Engineering Chemistry Research
—
2003, Volume 42, Issue 5, pp. 1098-1105
Abstract
Two modifications to perturbed-chain statistical associating fluid theory are proposed which simplify the calculation of phase-equilibrium properties for nonassociating and associating systems, polymers, and simple molecules without loss of accuracy. A simple linear extrapolation scheme is proposed to obtain parameters for linear alkanes up to polyethylene.
It is shown that computing times are greatly reduced using these modifications and compare favorably with traditional equations of state for nonassociating and associating systems.
| Language: | English |
|---|---|
| Year: | 2003 |
| Pages: | 1098-1105 |
| ISSN: | 15205045 and 08885885 |
| Types: | Journal article |
| DOI: | 10.1021/ie020753p |
| ORCIDs: | von Solms, Nicolas and Kontogeorgis, Georgios |
