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.
Original language | English |
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Journal | Industrial & Engineering Chemistry Research |
Volume | 42 |
Issue number | 5 |
Pages (from-to) | 1098-1105 |
ISSN | 0888-5885 |
DOIs | |
Publication status | Published - 5 Mar 2003 |