摘要：Butyl-levulinate has been identified as a promising fuel candidate with high oxygen content. Its com- bustion in diesel engines yields very low soot and NOx emissions. It can be produced by the esterification of butanol and levulinic acid, which themselves are platform chemicals in a biorenewables-based chemical supply chain. Since the equilibrium of esterification limits the conversion in a conventional reactor, reactive distillation can be applied to overcome this limitation. The presence of the high-boiling catalyst sulfuric acid requires a further separation step downstream of the reactive distillation column to recover the catalyst for recycle. Optimal design specifications and an optimal operating point are determined using rigorous flowsheet optimization. The challenging optimization problem is solved by a favorable initialization strategy and continuous reformulation. The design identified has the potential to produce a renewable transportation fuel at reasonable cost.

摘要：The design of optimal separation flow sheets for multi-component mixtures is still not a solved problem This is especially the case when non-ideal or azeotropic mixtures or hybrid separation processes are considered. We review recent developments in this field and present a systematic framework for the design of separation flow sheets. This framework proposes a three-step approach. In the first step different flow sheets are generated. In the second step these alternative flow sheet structures are evaluated with shortcut methods. In the third step a rigorous mixed-integer nonlinear programming （MINLP） optimization of the entire flow sheet is executed to determine the best alternative. Since a number of alternative flow sheets have already been eliminated, only a few optimization runs are necessary in this final step. The whole framework thus allows the systematic generation and evaluation of separation processes and is illustrated with the case study of the separation of ethanol and water.