Kelly Liu

First Name: 
Kelly
Last Name: 
Liu
Mentor: 
William Acree
Abstract: 
The Abraham solvation model allows for the analysis of environmentally safe solvents. By using measured solute properties and calculated solute descriptors, one can calculate Abraham model equation coefficients, which will allow one to measure environmental safety and provide more information about the solute-solvent interactions. For this project, we used methyl butyrate, an inexpensive green solvent that could potentially replace several industrial solvents. By determining the solvent coefficients for methyl butyrate through spectroscopic methods and regression methods, one can then use a 5-dimensional distance formula to determine possible replacements. Solvents with very low distances to methyl butyrate share many similar properties with this particular solvent, allowing for effective substitution on an industrial level that remains environmentally friendly.
Poster: 
Development of Abraham Model Correlations for Methyl Butyrate