| Attributs | Valeurs |
|---|
| type
| |
| Is Part Of
| |
| Subject
| |
| Title
| - Modeling of Polar Systems Using PCP-SAFT: An Approach to Account forInduced-Association Interactions
|
| has manifestation of work
| |
| related by
| |
| Author
| |
| Abstract
| - The perturbed-chain polar statistical associating fluid theory (PCP-SAFT) equation of state is applied to mixturescontaining polar as well as associating components where cross association may occur. In this work, wefocus on mixtures in which at least one of the components does not self-associate but is able to form hydrogenbonds with other compounds, for example, water and alcohols. On the basis of the mixing rules from Wolbachand Sandler 1 for associating components, we propose a simple approach to account for this type of crossassociation (referred to as induced association) only from the knowledge of pure-component parameters. Theapplication to vapor−liquid and liquid−liquid equilibria of numerous binary and ternary mixtures of polarcomponents with alcohols and/or water revealed the strength of the proposed approach. It is confirmed thataccounting for induced-association interactions improves the predictive capability as well as the ability of themodel to correlate mixture phase equilibria quantitatively. It is worth mentioning that only temperature-independent parameters are used for all calculations, and no additional adjustable parameters are introduced.
|
| article type
| |
| is part of this journal
| |
