Simulation of Aerosol Coagulation and Deposition Under Multiple Flow Regimes with Arbitrary Computational Precision

In computational aerosol coagulation models, a widely used technique is the sectional treatment of the particle size distribution. This approach is used in many first- and second-generation computer codes, where the section boundaries are selected to obey a geometric constraint. While this technique improves computational efficiency, it introduces a number of limitations, including poor representation of the initial size distribution and loss of resolution in the coagulated or final distribution. A robust and versatile computer model, SEROSA, has been developed, which permits an arbitrary number of sections with arbitrary size boundaries to simulate the temporal evolution of coagulation and deposition under multiple flow-regimes and coagulation types. The code permits a large number of parameter combinations and what-if scenarios under user control. Results are benchmarked against an analytical model as well as three coagulation models using coincident section boundaries and coagulation mechanisms. The comparison shows excellent agreement in cases where other computer models are known to perform well. The test cases also included scenarios where previously published computational coagulation models lack capabilities or exhibit numerical difficulties. Computational time varies depending on the number of sections, ageing, and coagulation types from a few seconds to minutes. The software is distributed by the Radiation Safety Information Computational Center of Oak Ridge National Laboratory as Code Package PSR 573. Copyright 2013 American Association for Aerosol Research