Comparison of a new mass-concentration, chain-reaction model with the population-balance model for early- and late-stage aggregation of shattered graphene oxide nanoparticles

Aggregation as an essential mechanism impacting nanoparticle (NP) functionality, fate, and transport in the environment is currently modelled using population-balance equation (PBE) models which are computationally expensive when combined with other continuum-scale reactive transport models. We propose a new simple mass-concentration-based, chain-reaction modelling (CRM) framework to alleviate computational expenses of PBE and potentially to...