Feasibility of ionic liquid as extractant for bio-butanol extraction: Experiment and simulation

Separation of 1-butanol from the model fermentation broth (98 wt% water + 2 wt% ABE, acetone: 1-butanol: ethanol = 3: 6: 1) using liquid-liquid extraction (LLE) was investigated in this paper. This investigation involved multi-scale simulations from ab initio calculation to process simulation. Firstly, suitable extractant was screened from ionic liquids (ILs) combined of 30 anions and 40 cations using conductor-like screening model for real...