(491j) 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.