A Multi-Scale Model-Based Approach to the Synthesis and High-Throughput Analysis of Biorefineries

The paper highlights the pivotal role of systems technology to foster innovation, preview options, and support high-throughput computational experimentation, arguing that systems tools are largely under-deployed. Systems-enabled platforms could instead function as powerful environments to generate ideas for integrated designs and offer tremendous services to the complex and large problems produced by the numerous portfolios of feedstocks, unknown portfolios of products, multiple chemistries, and multiple processing paths. A decision support platform is developed to evaluate and screen options for producing chemicals from biomass feedstock in a multi-scale approach. The platform is based on the modelling of the so-called compartmental processing blocks (CPBs) and their connections. It includes a simulation tool and a synthesis/optimisation tool, both based on a central database which holds process and economic information about individual CPBs. The synthesis/optimisation tool performs screening over multiple production routes by means of modelling and optimisation of superstructures that represent possible feedstock, routes, and products in a given case of assessment. The current implementation uses Excel for the database and the simulation tool, while the synthesis/ optimisation tool is based on GAMS. Cases studies of green ethylene, ammonia and propylene glycol are reported to illustrate the application of the platform.