387604 Molecular Dynamics Study to Explore Miscibility of Phosphonium Based Phase-Separable Ionic Liquids

Wednesday, November 19, 2014: 1:06 PM
Crystal Ballroom A/F (Hilton Atlanta)
Shanmuga Venkatesan, Dave C. Swalm School of Chemical Engineering, Mississippi State University, Starkville, MS and Neeraj Rai, Chemical Engineering, Mississippi State University, Mississippi State, MS

New generation of ILs called Phase-Separable Ionic Liquids (PSILs)  are able to dissolve lignin with co-solvents and are immisibile with water or saline solutions. These PSILs are introduced with hydrophobic moieties that can  phase separate with water/saline solutions. It has been reported that minor changes in carbon length of cations in phosphonium based PSILs greatly change its miscibility with water solutions. Here, we present results of molecular dynamics simulations that provide insights in structure property relationships for these phosphonium based ILs.  

Extended Abstract: File Not Uploaded
See more of this Session: Thermophysical Properties and Phase Behavior III
See more of this Group/Topical: Engineering Sciences and Fundamentals