An Investigation on the Performance of an Oxidation Catalyst Using Two-dimensional Simulation with Detailed Reaction Mechanism
-
Sreeharsh Nair
Abstract
The advent of stricter emission standards has increased the importance of aftertreatment devices and the role of numerical simulations in the evolution of better catalytic converters in order to satisfy these emission regulations. In this paper, a 2-D numerical simulation of a single channel of the monolith catalytic converter is presented by using detailed surface reaction kinetics aiming to investigate the chemical behaviour inside the converter. The model has been developed to study the conversion of carbon monoxide (CO) in the presence of propene (C3H6) for low-temperature combustion (LTC) engine application. The inhibition effect of C3H6 over a wide range of CO inlet concentrations is investigated. Considering both low and high levels of CO concentration at the inlet, the 2-D model predicted better results than their corresponding 1-D counterparts when compared with the experimental data from literature. It was also observed that C3H6 inhibition at high temperatures was significant, particularly for high concentrations of CO compared to low concentrations of CO at the inlet.
Acknowledgements
The financial support from Science and Engineering Research Board (SERB) of India through project number EMR/2016/007094 is gratefully acknowledged.
Notation
Pre-exponential factor of elementary reaction k [mol, cm, s]
- Cp
Specific heat capacity at constant pressure [J/kg.K]
Concentration of species j [mol/m2]
- Di, B
Diffusion coefficient of species i diffusing in the mixture of i and B [m2/s]
Activation energy [kJ/mol]
Enthalpy of species i [kJ/kg]
- J
Diffusive mass flux [kg/m2.s]
Number of surface reactions [-]
Reaction rate constant of elementary reaction k
Molecular weight of species i [kg/kmol]
Mean molecular weight [kg/kmol]
- Ng
Number of gas-phase species [-]
- Ns
Number of surface species [-]
- P
Pressure [Pa]
Net rate of production of species i due to chemical reactions [kg/m3.s]
- R
Universal gas constant [kJ/kmol.K]
Sticking coefficient of species i [-]
Net rate of production/depletion of species i [mol/m2.s]
- T
Temperature [K]
Axial velocity [m/s]
Radial velocity [m/s]
- Yi
Mass fraction of species i [-]
- Greek letters
- β
Temperature exponent [-]
Site density [kmol/m2]
Mass density [kg/m3]
Viscosity [Pa.s]
Thermal conductivity [W/m.K]
Stoichiometric coefficients for reactants [-]
Stoichiometric coefficients for products [-]
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Articles in the same Issue
- Research Articles
- Simulation of an Acid Gas Removal Unit Using a DGA and MDEA Blend Instead of a Single Amine
- An Investigation on the Performance of an Oxidation Catalyst Using Two-dimensional Simulation with Detailed Reaction Mechanism
- Bioprocess Optimization of L-Lysine Production by Using RSM and Artificial Neural Networks from Corynebacterium glutamicum ATCC13032
- Short Communication
- Exergoenvironmental Analysis of Tetrahydrofuran/Ethanol Separation through Extractive and Pressure-Swing Distillation
- Special section dedicated to selected extended papers from the 26th Regional Symposium on Chemical Engineering (RSCE 2019) held on Oct. 29 to Nov. 1, 2019 in Kuala Lumpur, Malaysia
- Editorial
- Editorial special section: selected extended papers from the 26th Regional Symposium on Chemical Engineering (RSCE 2019)
- Research Articles
- Mixed-integer non-linear programming (MINLP) multi-period multi-objective optimization of advanced power plant through gasification of municipal solid waste (MSW)
- A mixed integer nonlinear programming approach for integrated bio-refinery and petroleum refinery topology optimization
- Development and validation of mathematical model of hydrotropic-reactive extraction of lignin
- Optimization studies of low-density polyethylene process: effect of different interval numbers
- Modeling and simulation of the hollow fiber bore size on the CO2 absorption in membrane contactor
