Abstract
A newly proposed united-atom force field is used to predict the phase behavior of binary mixtures of long and short alkanes over wide ranges of temperature and pressure. Given the chemical similarity of the components, no adjustable binary parameters are introduced. In general, agreement with experiment is satisfactory. Two commonly used equations of state are also used to describe experimental coexistence curves. In the absence of binary data, it is found that molecular simulations provide a fairly reliable means of estimating thermodynamic properties for the highly asymmetric mixtures of short and long alkanes studied in this work.
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.
