Abstract
A considerable improvement in VLE predictions is obtained for mixture with non-associating polar components when the sPC-SAFT equation of state (EOS) is extended with the dipolar terms of Jog and Chapman (JC) and Gross and Vrabec (GV). These extended models are termed sPC-SAFT-JC and sPC-SAFT-GV, respectively. New model parameters for selected ketones, aldehydes, esters and ethers are presented for these two EOSs, as determined by the inclusion of pure component data and binary vapour–liquid-equilibria (VLE) data in the objective function of the regression procedure. Predictions of the VLE of polar/alkane and polar/polar systems show that most of these systems can be represented accurately by both models without using any binary interaction parameters (BIPs). Little difference in the performance of the two models is observed. In sPC-SAFT-GV, n p (number of polar segments) is included in the regression routine as an adjustable pure component parameter instead of using a default value of 1. This enables the model to capture the contribution of the polar term more correctly, resulting in more accurate VLE predictions.
Sign-in/Register to access full text options 
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 callDisclaimer: 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.
