A plug flow model for chemical reactions and aerosol nucleation and growth in an alkali-containing flue gas

The paper presents a numerical model for the simulation of gas to particle conversion and the chemical changes during cooling of a flue gas from the combustion of fuels rich in volatile alkali species. For the homogeneous nucleation of alkali species the model uses the classical theory modified by the Tolman coefficient for the size dependent surface tension. A special adaptation of the theory to the nucleation of seeds of chloride salt from an equilibrium mixture of monomer and dimer chloride vapor molecules is also made. The growth of particles occurs by condensation and agglomeration. Different multicomponent growth models are treated. The local gas phase composition is determined from a gas phase chemical equilibrium calculation combined with finite reaction rate kinetics for slower reactions. The model is useful in the analysis of boiler operation with respect to the formation of particles, HCl, SO2, and deposits.