In: Chemistry
What do the calculations indicate about how to optimize extraction of a compound using a limited amount of solvent?
The calculations on how to optimize any extraction using a limited amount of solvent are done by building the molecular structure of the solvent in three dimensional space by use of graphics software. Thereafter, various parameters are calculated like distribution coefficients, selectivities, capacities and solvent losses. Based on these results, the interaction between solute and solvent is determined and therefore, the amount of solvent for optimum extraction can be estimated. The design procedure is based upon the UNIFAC model estimates of the activity coefficients at infinite dilution of the different compounds present in the extract and raffinate phases, where calculated molecular, rather than the existing liquid-liquid group interaction parameters, are used.