CADS:Cantera Aerosol Dynamics Simulator.

Abstract

This manual describes a library for aerosol kinetics and transport, called CADS (Cantera Aerosol Dynamics Simulator), which employs a section-based approach for describing the particle size distributions. CADS is based upon Cantera, a set of C++ libraries and applications that handles gas phase species transport and reactions. The method uses a discontinuous Galerkin formulation to represent the particle distributions within each section and to solve for changes to the aerosol particle distributions due to condensation, coagulation, and nucleation processes. CADS conserves particles, elements, and total enthalpy up to numerical round-off error, in all of its formulations. Both 0-D time dependent and 1-D steady state applications (an opposing-flow flame application) have been developed with CADS, with the initial emphasis on developing fundamental mechanisms for soot formation within fires. This report also describes the 0-D application, TDcads, which models a time-dependent perfectly stirred reactor. 4

Implementation of equilibrium aqueous speciation and solubility (EQ3 type) calculations into Cantera for electrolyte solutions.

“…Its origins lie in modeling combustion systems and allied chemical vapor deposition processes [41]. However, it's been used extended to solid oxide fuel cell (SOFC) modeling [53], and it has been extended to model soot formation [8] using a sectional bin formulation. Currently, extensions for electrode reactions relevant to corrosion systems, where modeling the conditions for desiccation of brine systems are a prerequisite, and battery modeling are being sought after.…”