Simulation of aerosol dynamics and transport in chemically reacting particulate matter laden flows. Part I: Algorithm development and validation

Understanding vapor nucleation on the molecular level: A review

“…( 2) are the assumptions that clusters do not fragment upon collisions with monomers or clusters, and that only molecules evaporate from clusters. If spatial inhomogeneity exists, additional terms need to be introduced to account for spatial transport (Cai et al, 2018;Kommu, Khomami, & Biswas, 2004a, 2004b. Provided monomers are much higher in concentration compared to molecular clusters, the cluster-cluster association (coagulation) terms in Eq.…”

A CFD-sectional algorithm for population balance equation coupled with multi-dimensional flow dynamics

“…However, the feasibility of the developed algorithm was only demonstrated in studying the aerosol nucleation and condensation and did not cover the coagulation/agglomeration process. In addition, the variant of the sectional method, discretesectional method, has also been widely used in combination with CFD for the chemical synthesis of monomers and subsequent Brownian coagulation [33,34].…”

Impact of particle morphology on surface oxidation of nanoparticles: A kinetic Monte Carlo based study

“…Although aerosol dynamics based sectional/nodal models, 6-8 method of moments 9,10 or models for particle laden flows 11,12 have been widely used to study nanoparticle evolution in the past, only recent Monte Carlo (MC) based stochastic models are able to simulate nanoparticle nucleation, coagulation, aggregation, surface growth and restructuring 13,14 without resorting to a single unifying governing multivariate equation. 15 Specifically, MC simulations of nanoparticle aggregation and restructuring via coalescence/ sintering 16 have provided great insight into the role of process parameters in controlling the structures of gas-phase synthesized nanoparticles.…”