The Volumetric Particle Approach for Concentration Fluctuations and Chemical Reactions in Lagrangian Particle and Particle-grid Models

A new approach is proposed to predict concentration fluctuations in the framework of one-particle Lagrangian stochastic models. The approach is innovative since it allows the computation of concentration fluctuations in dispersing plumes using a Lagrangian one-particle model with micromixing but with no need for the simulating of background particles. The extension of the model for the treatment of chemically reactive plumes is also accomplished and allows the computation of plume-related chemical reactions in a Lagrangian one-particle framework separately from the background chemical reactions, accounting for the effect of concentration fluctuations on chemical reactions in a general, albeit approximate, manner. These characteristics should make the proposed approach an ideal tool for plume-in-grid calculations in chemistry transport models. The results are compared to the wind-tunnel experiments of Fackrell and Robins (J Fluid Mech, 117:1–26, 1982 ) for plume dispersion in a neutral boundary layer and to the measurements of Legg et al. (Boundary-Layer Meteorol, 35:277–302, 1986 ) for line source dispersion in and above a model canopy. Preliminary reacting plume simulations are also shown comparing the model with the experimental results of Brown and Bilger (J Fluid Mech, 312:373–407, 1996 ; Atmos Environ, 32:611–628, 1998 ) to demonstrate the feasibility of computing chemical reactions in the proposed framework.