The report presents the governing equations for representing aerosol dynamics, based on several different representations of the aerosol size distribution. Analytical and numerical solution techniques for these governing equations are also reviewed. Described in detail is a computationally efficient numerical technique for simulating aerosol behavior in systems undergoing simultaneous heat transfer, fluid flow, and mass transfer in and between the gas and condensed phases. The technique belongs to a general class of models known as modal aerosol dynamics (MAD) models. These models solve for the temporal and spatial evolution of the particle size distribution function. Computational efficiency is achieved by representing the complete aerosol population as a sum of additive overlapping populations (modes), and solving for the time rate of change of integral moments of each mode. Applications of MAD models for simulating aerosol dynamics in continuous stirred tank aerosol reactors and flow aerosol reactors are provided. For the application to flow aerosol reactors, the discussion is developed in terms of considerations for merging a MAD model with the SIMPLER routine described by Patankar (1980). Considerations for incorporating a MAD model into the U.S. Environmental Protection Agency's Regional Particulate Model are also described. Numerical and analytical techniques for evaluating the size-space integrals of the modal dynamics equations (MDEs) are described. For multimodal logonormal distributions, an analytical expression for the coagulation integrals of the MDEs, applicable for all size regimes, is derived, and is within 20% of accurate numerical evaluation of the same moment coagulation integrals. A computationally efficient integration technique, based on Gauss-Hermite numerical integration, is also derived.

EPA project officer: O. Russell Bullock, Jr., Atmospheric Sciences Modeling Division, Air Resources Laboratory, National Oceanic and Atmospheric Administration. Prepared by Computer Sciences Corporation, University of Minnesota, Mechanical Engineering Dept. and Atmospheric Sciences Modeling Division of the National Oceanic and Atmospheric Administration on assignment to the Atmospheric Research and Exposure Assessment Laboratory, U.S. Environmental Protection Agency. "February 1991." "This document was submitted in partial fulfillment of the requirements for the degree of Doctor of Philosophy by Evan R. Whitby"--Title page verso. Includes bibliographical references (pages 178-187).