Model-Based Simultaneous Solvent Screening and Column Design Based on a Holistic Consideration of Extraction and Solvent Recovery.

A methodology for a model-based simultaneous solvent screening and dimensioning of extraction columns is presented. Therefore, a rate-based extraction model is combined with a distillation model for solvent recovery and product purification to consider the whole extraction process. The optimal operating point and the required column dimensions are determined for each solvent candidate specifically to minimize total costs, which are used as a basis for solvent ranking. The methodology is applied to the extraction of levulinic acid from an aqueous feed with a special focus on the influence of mutual solubility between the solvent candidates and water. It is shown that using mixture properties for both phases in accordance with the mutual solubility significantly impacts the calculation of fluid dynamics, mass transfer, and thereby on the required extraction column height. Furthermore, additional costs due to solvents solubilized in the aqueous raffinate strongly affect the economic evaluation of the solvents.