Synthesis routes for production of biofuels and biochemicals commonly requires breakdown of larger molecules into building blocks, which are then catalytically reassembled into desired product molecules.  Since bond-breaking is usually endothermic, and bond-forming is exothermic, this means many important bio-based processes have both endothermic and exothermic processes occurring in the same reactor.  While it is tempting to infer that such a process will be approximately thermoneutral overall, this is rarely the case for heterogeneous catalytic reactors.  The influence of temperature-dependent mass and heat transfer limitations inside large reactors can significantly shift the reaction path from that observed in an isothermal reactor.<br/>In this presentation the authors will demonstrate strategies for using computational models for scaling up highly nonisothermal bio-based processes. The methodology starts by combining microreactor-generated reaction kinetics with thermodynamics, and follows the established scaleup path of pre-pilot, pilot and commercial reactor designs.  Obviously, the greatest chance of success occurs when data can be generated at each scale step, but computational modeling offers the potential for leapfrogging steps.  At present his potential is unrealized, but significant progress is being made.<br/>A particularly relevant example is the packed bed reactor.  These are very cost effective but often come up short for highly nonisothermal processes.  We will demonstrate how computational modeling can identify heat transfer challenges for bio-based processes at commercial scale.  Additionally and importantly, computational models can be used to carry out inexpensive <i>in silico</i> evaluations of high-heat transfer reactor concepts ranging from established shell and tube reactors used in SMR, EPO etc to emerging hardware concepts such as JM’s FT-CANS.

Scaleup modeling of highly nonisothermal biofuel and biochemical production processes

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