Handling Complexity of Semisolid Redox Flow Battery Operation Principles through Mechanistic Simulations

摘要

In this paper, the semisolid redox flow battery (SSRFB) in static mode is investigated through a kinetic Monte Carlo-based mechanistic model. Electrochemical reactions are said to occur in particle suspensions composed of carbon as conductive additive and silicon as active material, where silicon is known to undergo volume expansion on discharge. The coexistence of different physical phenomena in suspension is not trivial and leads to complex behavior. This work attempts to quantify physical complexity through parameter sensitivity analysis and some basic tools of graph theory. The systematic treatment employed herein not only expands the utility of mechanistic models, but also provides a more comprehensive theoretical understanding of these complex systems which can otherwise only be treated as black boxes. It is concluded that the primary source of complexity of the SSRFB is the competiation between multiple phenomena and that quantifying the dynamics between parameters is as important as measuring a specific parameter. A systematic method of studying the dynamics is to compartmentalize the complex system by introduction of mesoscopic parameters that emerge as a result of contributing microscale phenomena.