Browsing by Author "Santos, H."
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- Modelling transport phenomena and chemical reactions in automotive three-way catalytic convertersPublication . Santos, H.; Costa, M.; Santos, HelderThis study concentrates on the external and internal mass transfer with multiple reactions in the catalytic layer of a three-way catalyst (TWC). A single channel model accounting for the species diffusion inside the washcoat using the effectiveness factor was developed. Validation and calibration of the model was achieved by comparing predictions against experimental data obtained previously by the same authors. The model was then applied to study the importance of both turbulent monolith structures and controlled washcoat structures on TWC conversions. The numerical results show that: (i) increasing the transport coefficients using turbulent monolith structures can produce either positive or negative effects on the TWC conversions; (ii) overall, the net effect of increasing the transport coefficients on the TWC conversions is positive; (iii) at high inlet gas temperatures and high space velocities the turbulent monolith structures present important improvements in the TWC conversions; (iv) the TWC conversions can be significantly improved enhancing the transport properties of the porous washcoat structure; (v) enhancements in the transport properties of the washcoat structure have deeper impacts on the TWC conversions than improvements in the monolith channel structure.
- On the quantification of the controlling regimes in automotive catalytic convertersPublication . Santos, H.; Costa, M.The conversion of pollutants in automotive catalytic converters is influenced by a number of physical and chemical processes that take place in the gaseous and solid phases as the exhaust gases flow through the converter. A detailed understanding of the complex processes involving flow dynamics, heat and mass transport and heterogeneous surface reactions is of crucial importance to improve the converter design. The main objective of the present study is to quantify the magnitudes of the external and internal mass transfer as well as chemical reaction limiting processes as a function of the converter operating temperature. To this end, experimental data, obtained for a three way catalyst (TWC) under real world operating conditions, are analyzed and compared against analytical expressions that allow for the quantification of the different limiting processes involved. The results demonstrate that (i) the external mass transfer resistance overlaps the reaction resistance only at moderate operating temperatures and not immediately above the ignition temperature as generally considered in the literature, (ii) the transport phenomena (external and internal mass transfer) represents 90% of the total resistance for temperatures higher than 792 K, (iii) the internal mass transfer in the porous washcoat presents a larger resistance than the external mass transfer from the bulk fluid to the washcoat wall even at high operating temperatures, and (iv) based on the quantification of the individual resistances as a function of the TWC operating temperature, it was demonstrated both the influence of the substrate cell density and of the effective diffusivity on the TWC conversions.