A Computer Aided Model Framework for Process Design of Chemo-Enzymatic Synthetic Cascades

Limited fossil resources and the unstable oil price make it increasingly important to create new chemical processes based on renewable resources. For many of these new processes a combination of enzymatic as well as heterogeneous and homogeneous catalysis will be required to direct the reaction toward the desired products. In many chemo-enzymatic synthesis processes, even a small reaction pathway, there are many alternative technologies. Some can be integrated together, some give the required yield and selectivity, some are difficult to implement and others are untested at scale (Boisen et al., 2009). Thus, there is a need for a methodology capable of evaluating different processes in order to identify the optimal set of products and the best route for producing them (Sammons et al., 2007).

In particular, we focus on the design of chemo-enzymatic synthetic cascades from glucose to 2,5-furandicarboxylic acid (FDA) as a case study. Computer aided process modeling were used to compare many of the alternative technologies and routes from glucose to FDA within economic constraints. Likewise the process will form the basis of process / cost models for sensitivity analysis and to set targets for catalyst and process improvement.

This presentation will start with a brief overview of the challenges and opportunities in the selection, operation and design of a suitable scaleable chemo-enzymatic process. It will then followed by a detailed description of the methodology we proposed and computer-aided process design tools employed in the model framework. Afterwards, a case study will be given to illustrate how to apply the methodology.

REFERENCES

Boisen, A., Christiansen, T.B., Fu, W., Gorbanev, Y.Y., Hansen, T.S., Jensen, J.S., Klitgaard, S.K., Pedersen, S., Riisager, A., Ståhlberg, T. and Woodley, J.M., 2009, Process intergration for the conversion of glucose to 2,5-furandicarboxylic acid, Chemical Engineering Research and Design, submitted.

Sammons, N., Eden, M., Cullinan, H., Perine, L. and Connor, E., 2007, A flexible framework for optional biorefinery product allocation, Environmental Progress, 26:349 – 354.