Expanding the Solubility Parameter Method MOSCED to Pyridinium-, Quinolinium-, Pyrrolidinium-, Piperidinium-, Bicyclic-, Morpholinium-, Ammonium-, Phosphonium-, and Sulfonium-Based Ionic Liquids

Pratik Dhakal; Anthony R Weise; Martin C Fritsch; Cassandra M O'Dell; Andrew S Paluch

doi:10.1021/acsomega.9b03087

Expanding the Solubility Parameter Method MOSCED to Pyridinium-, Quinolinium-, Pyrrolidinium-, Piperidinium-, Bicyclic-, Morpholinium-, Ammonium-, Phosphonium-, and Sulfonium-Based Ionic Liquids

ACS Omega. 2020 Feb 19;5(8):3863-3877. doi: 10.1021/acsomega.9b03087. eCollection 2020 Mar 3.

Authors

Pratik Dhakal¹, Anthony R Weise¹, Martin C Fritsch¹, Cassandra M O'Dell¹, Andrew S Paluch¹

Affiliation

¹ Department of Chemical, Paper and Biomedical Engineering, Miami University, Oxford, Ohio 45056, United States.

Abstract

MOSCED (modified separation of cohesive energy density) is a solubility parameter method that offers an improved treatment of association interactions. Solubility parameter methods are well known for their ability to both make quantitative predictions and offer a qualitative description of the underlying molecular-level driving forces, lending themselves to intuitive solvent selection and design. Currently, MOSCED parameters are available for 130 organic solvents, water, and 33 imidazolium-based room temperature ionic liquids (ILs). In this work, we expand MOSCED to cover 66 additional ILs containing the pyridinium, quinolinium, pyrrolidinium, piperidinium, bicyclic, morpholinium, ammonium, phosphonium, and sulfonium cations using 10,052 experimental limiting activity coefficients. The resulting parameters may readily be used to predict the phase behavior in mixtures involving ILs.