Many factors contribute to these requirements, including transport processes in free and porous media and over membranes, electrochemical reaction kinetics, heat transfer, and structural mechanics.Considering all the physical effects in battery and fuel cell design requires different strategies, based on the same electrochemical principles, for the different actors in this industry, such as lead-acid batteries, lithium-ion batteries, solid oxide fuel cells (SOFCs), and proton exchange membrane fuel cells (PEMFCs).Often, it's at the level of chemical reaction kinetics, where reaction processes need to be understood, that your design criteria starts.Yet, as the overall process is designed, the reactors and surrounding units need to work in concert with each other, and optimizing them in relation to each other becomes paramount.This can be achieved by a variety of physical properties inherent to the species, and the fluid carrying them.
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Furthermore, modeling the size and placement of impellers and baffles in stirred and static reactors leads to good reactor design, while understanding the mechanisms of membranes, filters and screens helps in designing effective separation components.
Controlling heating and cooling is often an imperative step in designing chemical and electrochemical applications.
This showcase will illustrate many of the different phenomena that can be simulated, such as reaction kinetics, mass and heat transfer, and fluid flow, to provide designs of reactors, process units, and systems involving chemical and electrochemical phenomena.
Modeling and simulations allows us to understand, predict, and optimize over a wide range of processes and phenomena in reaction engineering.
From calculating the thermodynamic and kinetic properties of chemical species and their reactions, to setting up enthalpy balances and modeling the fluid flow that transports heat through convection, many processes need to be considered.