Abstract

Association theory has been extensively applied to equations of state such as statistical associating fluid theory and cubic plus association. This work presents an integration of association theory with the nonrandom two-liquid segment activity coefficient (NRTL-SAC) model. Replacing the four conceptual segments (hydrophobic, hydrophilic, polar attractive, and polar repulsive) in the original NRTL-SAC model, the association NRTL-SAC model represents interacting molecules with two conceptual segments (nonpolar and polar) and two association site types (hydrogen bond acceptor and donor). Given the molecule-specific parameters, the model shows much improved predictive capability than the original NRTL-SAC model for phase equilibria of chemical mixtures in which associations take place.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.