1D models are designed for quick numerical solution of a fully transient operation of interconnected tubular reactors and filters in dynamic regime, e.g., during cold start, abrupt changes in flow rate, concentrations and temperature. The developed models include catalytic monolith reactor (XMR), particulate filter (XPF), tubes (XTB) and heat exchanger (XHX). System decomposition and optimised numerical methods enable effective solution of model equations. Both global kinetics and microkinetics can be used to describe reaction mechanisms and rates.
- Mass and heat transfer from flowing gas to the catalyst surface
- Internal diffusion in coated catalyst layers
- Catalytic reactions, adsorption of selected components
- Heat generation, accumulation, convection, conduction and radiation
- Soot and ash filtration, soot reactions
- Pressure drop at the inlet, along channels and over the wall
- Prediction of dynamic evolution of the outlet concentrations and temperature
- Evaluation of instantaneous and overall (integral) conversions and cumulative emissions
- Calculation of spatio-temporal concentration and temperature profiles inside the monolith
- Optimisation of monolith configurations, their operating conditions and control strategy