Simulation of droplet heating and desolvation in inductively coupled plasma—part II: coalescence in the plasma

A numerical model is developed to consider for the first time droplet coalescence along with transport, heating and desolvation in an argon inductively coupled plasma (Ar ICP). The direct simulation Monte Carlo (DSMC) method and the Ashgriz–Poo model are used, respectively, to compute droplet–droplet interactions and to determine the outcome of droplet collisions. Molecular dynamics (MD) simulations support the use of the Ashgriz–Poo coalescence model for small droplet coalescence. Simulations predict spatial maps of droplet number and mass densities within an Ar ICP for a conventional nebulizer-spray chamber arrangement, a direct injection high efficiency nebulizer (DIHEN), and a large bore DIHEN (LB-DIHEN). The primary findings are: (1) even at 1500 W, the collisions of the droplets in the plasma lead primarily to coalescence, particularly for direct aerosol injection; (2) the importance of coalescence in a spray simulation exhibits a complex relationship with the gas temperature and droplet size; (3) DIHEN droplets penetrate further into the Ar ICP when coalescence is considered; and (4) droplets from a spray chamber or the LB-DIHEN coalesce less frequently than those from a DIHEN. The implications of these predictions in spectrochemical analysis in ICP spectrometry are discussed. [Copyright &y& Elsevier]