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ACS Omega ; 5(8): 3863-3877, 2020 Mar 03.
Article in English | MEDLINE | ID: mdl-32149213

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.

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