A Unified Pore-Scale Multiphysics Model for the Integrated Soot Transport-Deposition-Oxidation in Catalytic Diesel Particulate Filters

Abstract

Understanding the intricate interplay between soot dynamics and chemical reactions within catalytic diesel particulate filters (CDPF) is crucial for enhancing both filtration efficiency and regeneration performance. In this paper, we establish a unified pore-scale multiphysics model based on the Eulerian-Lagrangian framework to comprehensively resolve the transport, deposition, and oxidation of soot. Distinguishing itself from conventional empirical correlations and stochastic-based approximations, the system models soot deposition through fundamental physical principles, integrating elastic deformation and surface adhesion mechanics at the particle-wall interface. Simultaneously, it incorporates a robust oxidation model that accounts for the competitive kinetics of both $\textrm{O}_2$ and $\textrm{NO}_2$ pathways, enabling comprehensive coverage of all CDPF operating regimes. Validated against three classical benchmark cases, the model demonstrates superior accuracy in capturing interfacial mass transfer and particle-wall interactions. Simulation under a typical CDPF low-temperature operating condition emphasizes the pivotal role of $\textrm{NO}_2$ and catalyst in promoting regeneration and reveals complex synergistic and competitive effects between distinct reaction pathways. Notably, the reaction rate of direct $\textrm{O}_2$ pathway is accelerated by a factor of 87 in the presence of the catalyst. For ultra-fine soot particles ($50~\mathrm{nm}$), the Brownian motion and thermophoretic forces directly dictate the deposition efficiency. Their strong thermal sensitivity also underscores the necessity for an integrated soot transport-deposition-oxidation framework. To support further research, the model implementation can be accessed at https://github.com/zhangyujing2001.