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- 2011 Annual Meeting
- Separations Division
- Green Solvent In Separation Processes
- (224e) Characterization and Modeling of Bio-Oil and Protein Extraction From Biomass Using Ionic Liquid Based Co-Solvents
In addition to experimental measurements, molecular dynamics simulations have been employed to probe the fundamental interactions between ionic liquid and polar covalent molecules in solution. Radial distribution functions, along with simulation visualization, provide information on local fluid structure, and the molecular/structural basis for the experimentally observed auto-partitioning behavior.
Both experimental and simulation efforts provide an improved understanding of the relationship between molecular-level solvent structure and lipid solubility and diffusivity, which will help in the design of tailored ionic liquid/PCM solvent mixtures to optimize lipid extraction and separation, and ultimately biodiesel production.