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B. Jothithirumal, Dr .E. James Gunasekaran, Chandan Dey / International Journal of Engineering Research and Applications (IJERA) ISSN: 2248-9622 www.ijera.com Vol. 2, Issue 4, July-August 2012, pp.399-408 399 | P a g e Numerical Analysis Of Surface Reaction Of Catalytic Converter B. JOTHITHIRUMAL, 1 Dr .E. JAMES GUNASEKARAN 2 , CHANDAN DEY 3 , Assistant professor, Associate professor, Research Scholar Dept. of Mechanical Engineering Annamalai University ABSTRACT Pollution has become a major problem throughout the world. The automotive pollution is responsible highly for the global climatic changes since fifties increased concentration of pollutants in the vehicle emissions poses a serious health hazards to the public. Consequently, the air (prevention & control of pollution) act was passed in India in 1981, and its amendments and emissions control regulations became stringent step by step. Due to increasingly stringent government regulations on vehicle nitrogen oxides (NOx) emission levels the selective catalytic reduction (SCR) of NOx to N 2 by hydrocarbons has gained a great deal of attention. Catalytic converters for petrol driven passenger car have now become mandatory for new cars and SCR with ammonia water injection system is used to reduce the exhaust pollution. The project work reports some result of investigations carried out on the operation of ammonia water injection system on exhaust carried out by simulation model to reduce the NOx formation. The present work was done on simulation model of catalytic converter on exhaust system using Comsol multiphysics software. This project report describes the use of catalytic converter and injected ammonia water to reduce the harmful exhaust gas. Keywords: monolith reactor,NOx,NO,Ammonia 1.INTRODUCTION The reduction of Automobile pollution using catalytic converter in the latest vehicle speaks in high volume towards its successes. The uses of catalytic converter are becoming compulsory for all the heavy vehicles in order to prevent global warming. The modelling of catalytic converter as well as its simulation of surface reaction is very important to determine the conversion rate or the amount of pollutants reduction in the core of catalytic converter of the flue gasses from the engines. The catalytic converter model is simulating for the implementation of new catalytic converter technology. For this aspect, the role of exhaust gas after treatment method for the catalytic converter components is playing a very vital across the world.Literature review reveals numerous publications on two-and three- dimensional computational fluid dynamic(CFD) modelling of a single channel of the monolith(Canu &Vecchi,2002;Chatterjee, Deutschamnn, & Warnatz, 2001; Deutschamnn, Maier,Riedel, Stroemann, & Dibble, 2000;Grimm & Mazumder,2008; Groppi, Belloli, Tronconi, &Forzatti, 1995; Holder, Bolliga,Anderson, &Hochmuth, 2006; Mantzaras, Appel, & Benz, 2000; Papadias, Zwinkels, Edsberg, & Bjormborg, 1999; Raja, Kee, Deutschmann, Warnatz, & Schmidt,2000; Sallamie &Koshkanab, 2003; Young & Finlayson, 1976, among many others).Recently, due to the shortage of better alternatives,the knowledge gained from the simulation of a single channel is extrapolated to the entire catalytic conveter.Since the channels are coupled to each other through heat transfer,and individual channels may encounter different flow rates,extrapolation of the results of a single channel to the entire converter is not always accurate,and may lead to flawed designs(Tischer,correa & duetschmann,2001).Shuai and wang (2004) modelled the monolithic reactor using a two dimensional model,in which the reactor was modelled as a porous medium and surface reactions were modelled using a two step mechanism.Kolaczkowski and Serbertsioglu(1996) performed analytical modelling of channel interactions in catalytic combustion reactors.The focus of their study was the effect of monolith material properties on heat dissipation.Chen,Alexio,Williams,Leprince,and Yong(2004)performed three dimensional CFD modelling of flow and heterogeneous reactions in catalytic converters.The pressure and velocity fields were calculated by modelling the monolith as a porous medium. The surface reaction model was then superimposed on the fluid flow results.Te objective of the present study is to demonstrate the effectiveness of a new implicit coupled for such large scale catalytic converter. This paper describes how the modelling of catalytic converter has done using plug flow reactor to obtain its high efficiency while simulating the model, the characteristic graphs of various inlet

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  • 1. B. Jothithirumal, Dr .E. James Gunasekaran, Chandan Dey / International Journal of Engineering Research and Applications (IJERA) ISSN: 2248-9622 www.ijera.com Vol. 2, Issue 4, July-August 2012, pp.399-408 Numerical Analysis Of Surface Reaction Of Catalytic Converter B. JOTHITHIRUMAL,1 Dr .E. JAMES GUNASEKARAN2, CHANDANDEY3, Assistant professor, Associate professor, Research ScholarDept. of Mechanical Engineering Annamalai UniversityABSTRACT Pollution has become a major problemconverter components is playing a very vital acrossthroughout the world. The automotive pollution the world.Literature review reveals numerousis responsible highly for the global climaticpublications on two-and three- dimensionalchanges since fifties increased concentration of computational fluid dynamic(CFD) modelling of apollutants in the vehicle emissions poses asingle channelof the monolith(Canuserious health hazards to the public.&Vecchi,2002;Chatterjee, Deutschamnn, &Consequently, the air (prevention & control of Warnatz, 2001; Deutschamnn, Maier,Riedel,pollution) act was passed in India in 1981, andStroemann,&Dibble, 2000;Grimm &its amendments and emissions control Mazumder,2008; Groppi, Belloli, Tronconi,regulations became stringent step by step. Due &Forzatti, 1995; Holder, Bolliga,Anderson,to increasingly stringent government regulations &Hochmuth, 2006; Mantzaras, Appel, & Benz,on vehicle nitrogen oxides (NOx) emission levels 2000; Papadias, Zwinkels, Edsberg, & Bjormborg,the selective catalytic reduction (SCR) of NOx to1999; Raja, Kee, Deutschmann, Warnatz, &N2 by hydrocarbons has gained a great deal ofSchmidt,2000; Sallamie &Koshkanab, 2003;attention. Catalytic converters for petrol drivenYoung & Finlayson, 1976, among manypassenger car have now become mandatory forothers).Recently, due to the shortage of betternew cars and SCR with ammonia wateralternatives,the knowledge gained from theinjection system is used to reduce the exhaust simulation of a single channel is extrapolated to thepollution. entire catalytic conveter.Since the channels are The project work reports some result of coupled to each other through heat transfer,andinvestigations carried out on the operation of individual channels may encounter different flowammonia water injection system on exhaustrates,extrapolation of the results of a single channelcarried out by simulation model to reduce theto the entire converter is not always accurate,andNOx formation. The present work was done onmay lead to flawed designs(Tischer,correa &simulation model of catalytic converter on duetschmann,2001).Shuai and wang (2004)exhaust system using Comsol multiphysics modelled the monolithic reactor using a twosoftware. This project report describes the usedimensional model,in which the reactor wasof catalytic converter and injected ammoniamodelled as a porous medium and surface reactionswater to reduce the harmful exhaust gas. weremodelled usinga two step mechanism.Kolaczkowski and Serbertsioglu(1996)Keywords: monolith reactor,NOx,NO,Ammoniaperformed analytical modelling of channel interactions in catalytic combustion reactors.The1.INTRODUCTION focus of their study was the effect of monolithThe reduction of Automobile pollutionmaterialproperties on heatusing catalytic converter in the latest vehicle speaks dissipation.Chen,Alexio,Williams,Leprince,andin high volume towards its successes. The uses ofYong(2004)performed three dimensional CFDcatalytic converter are becoming compulsory for allmodelling of flow and heterogeneous reactions inthe heavy vehicles in order to prevent globalcatalytic converters.The pressure and velocitywarming. The modelling of catalytic converter as fields were calculated by modelling the monolith aswell as its simulation of surface reaction is very a porous medium. The surface reaction model wasimportant to determine the conversion rate or thethen superimposed on the fluid flow results.Teamount of pollutants reduction in the core ofobjective of the present study is to demonstrate thecatalytic converter of the flue gasses from theeffectiveness of a new implicit coupled for suchengines. The catalytic converter model islarge scale catalytic converter.simulating for the implementation of new catalytic This paper describes how the modelling ofconverter technology. For this aspect, the role of catalytic converter has done using plug flow reactorexhaust gas after treatment method for the catalytic to obtain its high efficiency while simulating the model, the characteristic graphs of various inlet 399 | P a g e

2. B. Jothithirumal, Dr .E. James Gunasekaran, Chandan Dey / International Journal of Engineering Research and Applications (IJERA) ISSN: 2248-9622 www.ijera.com Vol. 2, Issue 4, July-August 2012, pp.399-408temperatures on what the changes in molar flowrate, selectivity parameters, temperature profilesetc.With the results this paper illustrates about thechanges of different parameters of fluid like molarconcentrations, temperature distributions,isosurface etc.which represents the conversions ofpollutants like SOx and NOx in its monolithiticreacting surface made up of materials zeolite andkaoline.While on the designing the catalyticconverter model the important issue is the impactsof scale up or scale down of the catalyticconverter,that is what happens if the overalldimensions of the catalytic converter is going toincrease or decrease,keeping the channeldimensions unchanged?This is a critical question FIG: 1 SIMULATION MODEL FOR THE MULTIwhich has to be answered by modelling andCHANNELsimulation in order to keep design cost low.2.COMPUTATIONAL METHOD The modelling of catalytic converter isdone here using comsol multiphysics software. The3D model of the catalytic converter is drawn herewith its inlet, outlet, inlet walls, outlet walls,reactor surface boundaries, and the domains likesupporting walls &channel blocks. The 2D objectof 100 mm dia circle with its channel blocks isextruded up to 470mm to represent the 3D model of catalyticconverter with its reactor surface. In the process ofsimulation It is used the standard SCR reaction4NH3+4NO+O24N2+6H2O----------------------(1)In the absence of oxygen, to reduce NO a slowerFIG:2 THE MESH OBJECT OF CATALYTICreaction also goes on, which isCONVERTER4NH3 +6NO5N2+6H2O.--------------------------(2)When the NO2/NO ratio is close to unity,a muchhigher rate reaction prevails, often known as fastSCR 2NH3+NO+NO22N2+3H2O.--------------------(3)Madia et al performed an investigation ofthe side reactions observed during the SCRprocess.Madia et al also investigated the effect ofthe increased NO2 fraction caused by an oxidationcatalyst located upstream of the SCR converter, andconcluded that increasing the NO2/NO fraction upto 1 enhances NOx conversion at low temperatures,due to the reaction with NO and NO2,which issignificantly faster than reaction with NO andO2.In the numerical studies ,heterogeneousreactions mechanisms are used to describe surfaceFIG:3 INLETreactions on catalytic plates,where the chemicalspecies are absorbed,react with the surface plane ofthe catalyst,followed by the desorption.The stationary plug flow is used In thesimulation process, and the study 1 is computed toplot the graphs according to different temperatures. 400 | P a g e 3. B. Jothithirumal, Dr .E. James Gunasekaran, Chandan Dey / International Journal ofEngineering Research and Applications (IJERA) ISSN: 2248-9622www.ijera.com Vol. 2, Issue 4, July-August 2012, pp.399-408FIG:4 OUTLETFIG:7 SUPPORTING WALLSFIG:5 INLET WALLSFIG:8 REACTION SURFACE 2.1 NO Reduction in a Monolithic ReactorThis is a modelling example of catalytic converter that removes nitrogen oxide from a car exhaust through the addition of ammonia. This example shows an application of the above described modelling strategy and demonstrates through a series of simulations how an understanding of this reactor and its system can be improved. To do this, it uses a number of the interfaces and features found in the Chemical Reaction Engineering Module. This example illustrates the modelling of selectiveFIG:6 OUTLET WALLS reduction of nitrogen oxide (NO) by a monolithic reactor in the exhaust system of an automobile. Exhaust gases from the engine pass through the channels of a monolithitic reactor filled with a porous catalyst, and by adding ammonia (NH3) to this stream, the nitrogen monoxide can be selectively removed through a reduction reaction. Yet, ammonia (NH3) is also oxidised in a parallel reaction, and the rates of the two reactions are affected temperature as well as composition .This 401 | P a g e 4. B. Jothithirumal, Dr .E. James Gunasekaran, Chandan Dey / International Journal of Engineering Research and Applications (IJERA) ISSN: 2248-9622 www.ijera.com Vol. 2, Issue 4, July-August 2012, pp.399-408means that the amount of added ammonia musttemperature. From a mass transfer point of view,exceed the expected amount of nitrogen oxide channels of the reactor monolith can be consideredwhile not being so excessive as to release NH3 toto be uncoupled to one another. Therefore it isthe atmosphere.reasonable to perform initial simulations where aThe simulations are aimed at finding the optimal single reactive channel, modelled by nonisothermaldosing of NH3, and investigating some of the other plug flow equations represents the monolithoperating parameters in order to gauge their effects.reactor. This model is set up and solved using theOn defining the modelling strategy, first theReaction Engineering interface.selectivity aspects of the kinetics are studied mymodelling initial reaction rates as function of2.4 MODEL EQUATIONtemperature and relative reactant amounts. Assuming steady state, the mass balanceInformation from these studies point to the generalequation for a flow reactor is given byconditions required to attain the desired selectivity.= The reactor is then simplified and modelled as a Where F is the species molar flow rate (mol/s) ,Vnon-isothermal plug flow reactor. This reveals the represents the reactor volume(m2)and is R, thenecessary (NH3) dosing levels based on the species net reaction rate (mol/(m2s)).the energyworking condition of catalytic converter and balance for the ideal reacting gas is:assumed flow rate of NO in the exhaust stream. A3D model of catalytic converter is then set up and , .= + ---------------------------- solved. This includes mass transfer, heat transport, -----(5)and fluid flow and provides insight and informationWhere CP is the species molar heat capacityfor optimizing the dosing levels and other (J/mol.k) and Qaxt is heat added to the system peroperational parameters.unit volume (J/m2s). Q denotes the heat due to chemical reaction (J/(m2s)).2.2 CHEMISTRYQ= - j Hj rjTwo parallel reactions occur in theWhere h, the heat of reaction (j/mol) and, r thezeolite/kaolin washcoat of the monolithic reactorreaction rate (mol/m3s).The desired reaction is NO reduction by ammonia:The reactor equations are solved for a channel 0.36 4NO + 4NH3 + O2 4N2 +6H2O-------------- m in length with a cross section area of 12.6 mm2--------------(1).It is assumed that that exhaust gas containing 41.1 mmol/m3 of NO at a temperature of 523KHowever, ammonia can at the same time undergopasses through the channel at 0.3m/soxidation: 4NH3 + 3O2 2N2 + 6H2O---------------------- 2.5 THE 3D REACTOR--------(2) It is clear from the kinetic analysis as wellThe heterogeneous catalytic conversion of NO toas from the single channel model that temperatureN2 is described by an Eley-Rideal mechanism .A plays a central role in affecting the optimal dosingkey reaction step involves the reaction of gas phase of NH3.As the temperature distribution is likely toNO with surface adsorbed NH3.The following ratevary from the channel to channel in a catalyticequation (mol/(m3s)) has been suggested in Ref.1 converter, a full 3D reactor model is called for.for Equatiion1:r1=k1 cNO( acNH3/1+ acNH3)------------------------------ 2.6 Model geometry----(3) The monolithic reactor has a modularWherestructure made up of monolith channel blocks andE1k1=A1exp( ) supporting solid walls. The reactor is 470 mm long RgT And and 50 mm in radius. Eo a=A0 exp ()RgT For Equation2, the reactionrate (mol/(m3s)) is given by r2=k2cNH3----------------------------------------------------(4) WhereE2 k2=A2 exp () RgT Fig:9 NO reduction chemistry takes place in the2.3 THE PLUG FLOW REACTOR channel blocks. Supporting walls hold together the To find the minimum level of (NH3) full reactor surface.required to reduce the NO present in the exhaustgas requires a reactor model accounting forchanging reactant concentrations and system402 | P a g e 5. B. Jothithirumal, Dr .E. James Gunasekaran, Chandan Dey / International Journal of Engineering Research and Applications (IJERA) ISSN: 2248-9622 www.ijera.com Vol. 2, Issue 4, July-August 2012, pp.399-4082.7MODEL EQUATIONSAND channel models are connection though the heat -ASSUMPTIONS transfer equation for the reaction monolith.In the present example a pseudohomogeneous approach is used to model the 2.9 Fluid Flowhundreds of channels present in the monolithAssuming fully developed laminar flow inreactor. As no mass is exchanged betweenchannels, the average flow field is proportional tochannels, each channel is described by 1D masspressure difference across the reaction .The flow oftransport equations. Furthermore, fully developed reaction gas through the monolith can the belaminar flow in the channels is assumed, such thatmodelled using a Darcys law interface withthe average flow field is proportional to the following governing equation;pressure difference across the reactor. The fluid. ( )=0flow transports mass and energy only in the u=- channel direction. The energy equation describes the temperature of the reacting gas in the channels,The monolith is treated as a porous matrix with theas well as the conductive heat transfer in theeffective permeabilityk(m2).thedensitymonolith structure and the supporting walls. As the ,p(kg/m3),and viscosity,(Pa.s),represent propertiestemperature affects not only the reaction kineticsof the reacting gas.but also the density and viscosity of the reactinggas, the energy equation is what really connects the2.10 Heat Transferchannels in the reactor structure turning this into a A single temperature equation describing the heat3D model. transfer in porous monolith reactor can be writtenas: 2.8 Mass Transport (pCp)eq+pf Cpf u = .(keq )+Q---------------- The mass balance describing transport and -(7)reaction in reacting channels are given byFor the stationary case this reduces to:diffusion-convection equations at steady state: piCpfu.=.(keq )+Q-------------------------------- . (Dici)+u.ci = Ri------------------------------ --(8)--------(6) Where pi(kg/m3) is the fluid density Cp(J/kg.K) isHere Di denotes the diffusion coefficient (m2/s), CIThe fluid heat capacity ,and keq (W/(m.k))is theis the species concentration (mol/m3), and u equals equivalent thermal conductivity. Furthermorethe velocity (m/s). The term R (mol/(m3s))u(m/s) is the fluid velocity field, which in thiscorresponds to the species rate expression. model is calculated in the Darcys law interface,Mass transport is only allowed in the direction ofand Q(W/m3) is the heat source, which is due tothe channels, corresponding to direction of the x-exothermic chemical reaction:axis in the 3D geometry used in this example. For Q= Q1 + Q2 =-r1H1-r2H2the diffusive transport this is accomplished by The equivalent conductivity of the solid fluidsetting the y and x components of the diffusivity system, keq is related to the conductivity of thematrix to zero. The pressure driven flow in thesolid keq, and to the conductive of the fluid, keq by:monolith is also defined in the direction of the x- Keq=P kp+ f kfaxis hereby restriction the convective mass Here p denotes the solid materials volumetransport to the channel direction as well. Eachfriction, here 0.25, which is related to the volumemonolith channel thus behaves as a 1D plug-flow fraction of the fluid fby:model with included diffusion. These separatesf+p=1model (equation8). the chemical reactionEquation (8) is the equation set up by heat transferengineering module uses the following setinterface for a fluid domain. For the supporting in polynomial as default expressions describingthe reactor, only heat transfer by conduction species thermodynamics propertiesapplies:Cp, i =Rg (a1+a2T+a3T2+a4T3+a5T4) -------------------- (k8 )=0 ----------------(9)Where k8 (w/m-k) is the thermal conductivity for hi=Rgthe solid wallsa 2T 2 a3T 3 a 4T 4 a5T 5As mentioned, the temperature affects not only( a1T a 6)reaction kinetics but also the density and viscosity 2 34 5of the reacting gas. In this way the heat transfer ----(10)equation connects channels in the reactor structure.si= Rg(a1InT+a2T2 3 a3Ta 4T a5 a 7) 42.11 Thermodynamic and transport Properties -------- 2 3 4Accurate thermodynamic data is requiredas input to energy balance equation, both in the-(11)plug flow model (equation5) and the 3Dmonolith 403 | P a g e 6. B. Jothithirumal, Dr .E. James Gunasekaran, Chandan Dey / International Journal of Engineering Research and Applications (IJERA) ISSN: 2248-9622 www.ijera.com Vol. 2, Issue 4, July-August 2012, pp.399-408Here Cp ,denotes the species heat capacity (J/mol The chemical Reactions are modelled withk),T the temperature (K) and Ri the ideal gas chemical kinetic reaction mechanism. It is used toconstant ,8.314 (j/mol k) further ,h is the molar perform three different analyses concerning theenthalpy (j/mol) and SI represent its molar entropy reduction of NO in a monolithic reactor. the(J/mol k).A set of seven coefficients per input for reactions modelled are:the polynomials. The coefficients a1 through a2 1) Kinetic Analyses-to explore the system ofrelate to the species heat capacity ,the coefficient a3competing reactions and learn whatis associated with the species enthalpy of formation conditions that promote selectivity(at 0 K) and the coefficient a1 comes from the towards NO reductionspecies entropy of formation (at 0 K).2) Plug Flow Reactor Model- to explore theThe equation from outline by equqtion9 through coupled mass and energy balanceequqtion11 is referred to as CHEMKIN or NASA equations in a single channel model,format (ref 2) Database resources list the neededresulting in a first estimate of the NH3coefficients are for different temperature intervals dosing level(ref3).in the this exampl. 3) 3D Reactor Model-testing the reactor3 RESULT AND DISCUSSIONS operating conditions in a full 3D reactor To model the injection of urea a typicalrepresentation, noting the space-dependentcatalytic converter is chosen whose dimension is effect due to coupling between monolith100 mm and length is 470 mm. It is necessary tochannels.inject urea as a liquid solution (called Ad blueThe surface reaction of NOx reduction will besolution) into the hot exhaust gas, which iseffective only at certain temperatures. Hence tonormally between the temperatures of 423k to573kfind out the range at which the reactions aredepending upon the load of the engine.effective, the simulations were conducted for fourUrea injection process is modelled by Ad blue exits. The temperature profile came acrossliquids (32.5% urea and 73.5%water), solid modelcorresponding the temperatures 423k, 523k,is created and meshed in comsol multiphysics4.2 623k,&723k with the changes in molar flow ratesoftware. and temperatures.The results are plotted below3.1 SIMULATION PROCEDUREThe graphs of molar flow rate are plotted below: For reacting gas mixtures the reactionengineering feature makes use of kinetic gas theoryto set up expressions for transport properties suchas diffusivities viscosity and thermal conductivityas function of temp ,pressure and composition .inthis example ,the species diffusivities (m3/ s) arecalculated using the formulaD 2.695.10 3 .T3 M A M B / 2.10 3 M A M B P A B D---------(12)(a) Exhaust gas temperature 423kWhere D is a collision integral D f T , , , kb404 | P a g e 7. B. Jothithirumal, Dr .E. James Gunasekaran, Chandan Dey / International Journal ofEngineering Research and Applications (IJERA) ISSN: 2248-9622www.ijera.com Vol. 2, Issue 4, July-August 2012, pp.399-408length of the catalytic converter.Fig:10 show thecomparison of flow rates of ammonia and nitrogenoxide (NO) along the length wise direction. It isevident from the picture that, as the temperature ofexhaust increases the reduction of NO is enhanced.For example at a volume of 15 units the NO levelare147.5 and 2.0 moles /sec for the temperatures of423k and 523k.Further increase in temperature doesnot enhance NO reduction as it can be seen for thefigures 10 (b) and 10 (c).Analysing the figure it canbe seen that the NO level is around 2.5 moles/sec.at a location of 15 volume units. Hence it can be concluded that the optimumb)Exhaust gas temperature 523kexhaust gas temperature for the NO reduction withammonia for the given NO emission level is 523k.The graphs of temperature profile are given below;c)Exhaust gas temperature 623k(a) Exhaust gas temperature 423kd) Exhaust temperature 723kFig:10 Spatial variation of flow rates of NH3 andNO for different temperatures with respect tovolume of catalytic converter.Various parameters like the reaction rates of b)Exhaust gas temperature 523kreaction 1 and reaction 2, molar flow rates andtemperature across the domain were calculated andmeasured. The measurements were done across the 405 | P a g e 8. B. Jothithirumal, Dr .E. James Gunasekaran, Chandan Dey / International Journal of Engineering Research and Applications (IJERA) ISSN: 2248-9622 www.ijera.com Vol. 2, Issue 4, July-August 2012, pp.399-408apparently NO reaction induced temperaturerise. The Fig: 11 b) temperature 523k representsthat the temperature is 523 k at the zero unitvolume of the SCR system and it suddenly goeshigh up to 530k at 10 unit of volume of the SCRsystem and then continuously decreases tobelow 490k at the outlet of SCR system. Fromthe Fig:11 c)temperature 623k , it shows that thetemperature graph rapidly increases from 623ktemperature to above 650k temperature within 2unit volume of the SCR system and thendecreases to below 560k to the outlet of SCRsystem. The last Fig: 11 d) temperature 723krepresents the temperature increasement from723k to above 750k very fastly within the singleunit volume of the SCR system and thencontinuously decreases to below 620ktemperature at the outlet of the SCR system. c)Exhaust gas temperature 623k Ammonia (NH3) and nitrogen oxide (NO) for the surface concentration. From the fig:12 concentration figure of NO & NH3, d) Exhaust temperature 723k it is shown that the surface concentration (mol/m3) is maximum at inlet of the model, continuously decreasing towards the outlet of the model. ThisFig: 11 Spatial variation of exhaust gas temperature represents that the pollutants like NO,NH3 are highfor different exhaust conditions(inlet SCR in concentration at the inlet of the catalytic modelcondition).and while passing through the catalytic core the pollutants get converted to some other elements by From the fig: 11 a) temperature 423k,it shows the chemical reaction inside the catalytic core. that the temperature is very high (about 423k) at Which shows the lower concentration value of NO the zero volume (inlet) level of the SCR system,& NH3 at the outlet of the model. and it continuously reduces to about 402 k at the outlet of SCR system. It shows that there is12 a. Concentration of NO 12 b.concentration of NH3Fig: 12 Surface concentrations of NO & NH3 for atypical 3D volumeAmmonia (NH3) and nitrogen oxide (NO) forthe slice concentration. 406 | P a g e 9. B. Jothithirumal, Dr .E. James Gunasekaran, Chandan Dey / International Journal of Engineering Research and Applications (IJERA) ISSN: 2248-9622 www.ijera.com Vol. 2, Issue 4, July-August 2012, pp.399-408Contour Plots of NH3 & NO 13 a concentration of NO13 b. 15 a Contour Plots of NH3 15 b concentration of NH3 Contour Plots of NOFig: 13 slice concentration of NO & NH3 for a Fig 15 Contour Plots of NH3 & NOtypical 3D volume Contour plots of both the NH 3 and NO is higher atinlet and reduced to almost zero at the exit.Moreover the ammonia slippage is minimum in thisThe above figures shown the slice concentration case. Hence we can safely assume that health(mol/m3) of NO and NH3 which is maximum athazard due to ammonia is nil.inlet and continuously decreasing towards the Enthalpy of reaction 1 & reaction 2outlet. It refers the slice concentrations of NO &NH3 part by part how & by what value it isdecreasing towards the outlet of the model. Itrepresents that the surface reaction takes place fromthe inlet of the model and it is well finished beforethe outlet of the model.Pressure on both the cases of slice and surface ofthe catalytic converter16 a Enthalpy of reaction 116 bEnthalpy of reaction 2Fig 16 Enthalpy of reaction 1 andreaction 2 The Fig: 16, shows that the enthalpy is higher atthe inlet portion and decreases to the outlet of theSCR system of both the cases of Reaction 1 &Reaction 2.This shows that by the time the exhauststream enters the middle of the Catalytic core13 aSlice pressurealmost all the reactions have been completed. At 14 b surface pressurethe exit no reaction occurs at all.Reaction rate of reaction 1 & reaction 2 Fig 14 Slice and Surface Pressure of Catalytic Converter model.The figures show the pressure distribution throughthe catalytic converter model, which is having ahigher pressure at the inlet and continuouslydecreasing pressure towards the outlet for both theslice and surface cases. This represents that at theinlet of the model due to the injected ad bluesolution and entering exhaust gas from the enginethe pressure is high, as the reaction takes place atthe entrance of the catalytic core, the specificvolume increases and hence the pressure increases.As the gas flows further downstream the reactiontemperature reduces and hence the pressure toodecreases.407 | P a g e 10. B. Jothithirumal, Dr .E. James Gunasekaran, Chandan Dey / International Journal of Engineering Research and Applications (IJERA) ISSN: 2248-9622 www.ijera.com Vol. 2, Issue 4, July-August 2012, pp.399-408 17 a. reaction rate of reaction 117 b.system. The reaction rate pictures of reaction 1 andreaction rate of reaction 2reaction 2 also shows that the reaction rate is highFig 17 Reaction rates of reaction 1 andat the inlet and decreases at the out let of the SCRreaction 2 system.The Fig: 17 (A) shows that the reaction rate ofThe concentration of NOx and NH3 is alsoreaction 1 is higher at the inlet of SCR system andmaximum in the inlet and reduced downstream ofcontinuously decreases to the outlet of the SCRthe SCR system .The pollutants like NO and NH 3system. The Fig: 6.6 (B) shows that the reaction are higher in concentration (0.0557 mol/m3) .Therate of reaction 2 is also much higher at the inlet of concentration of NO is reduced to a lowest value ofSCR system and continuously decreases to the flow at 0.005 mol/m3 at the exit of the catalyticoutlet of the SCR system. This represents that the core. Whereas the NH3 concentration at exit ischemical reaction started from the inlet of the SCRaround 0.01 mol/m3.This clearly shows that thesystem and it is well finished before the outlet ofsurface reaction occurs satisfactorily at the catalyticthe SCR system. The reaction is completed within core.the catalytic core.Moreover it can be concluded that at 523k temperature the catalytic converter is highlySurface temperatureeffective and it reduces the pollutants to a very minimum level. 5. REFERENCE1. B.Jothi Thirumal and Dr. E.James Gunasekaran, Numerical Study on Ammonia Evaporation for Urea Selective Catalytic Reduction SystemInternational Journal of Science and Advanced Technology (ISSN 2221- 8386) Volume 1 No 5 July 2011.2.S.Pietrzyk, F.Dhainaut,A.Khodakov and P.Granger, Catalytic Reduction under Surface temperature unsteady- state conditions. Modelling with COMSOL Excerpt from the proceedings of the COMSOL usersFig18. Surface temperature of the catalyticconference 2006 Paris.model 3. K. Hirata,N Masaki,M Yano,HThe surface temperature figure shows that theAkagawa,K, Takada, J kusaka,and T Mori,temperature variation is maximum at the inlet of Development of an improved ureathe model which is approximately 523k and it selectivecatalyticreduction-dieseldecreases to the outlet where it seems to be lessparticulate filter system for heavy-dutythan 440k.This represents that the reaction has been commercial vehiclesInt.J.Engineoccurred from the inlet of the SCR system and it isRes.vol.10 on 15 May 2009.completed before the exit of the SCR system.4. D Tsinoglou and G Koltsakis, Modelling of the selective catalytic NOx reduction4. CONCLUSIONin diesel exhaust including ammoniaThe SCR technology is a successful storage Proc.IMechE Vol.221 Part D:method of reducing the harmful gases such as NOx,J.Automobile Engineering on 13 SepHC, CO. The aim of the research work is to show2006.the reaction of NO and NH3 in the monolith reactor5. S-C Jung and W-S Yoon, Modelling andof catalytic converter with varying temperatures byparametric investigation of NOxusing COMSOL MULTIPHYSICS 4.2 software.reduction by oxidation precatalyst-From the simulation study it was observed that the assisted ammonia-selected catalyticconversion of NO into N2 is effective only in thereduction Proc.IMeche Vol.223 part D:middle range of temperature i.e. about 523k. J.Automobile Engineering on 15 mayFrom the enthalpy picture it is seen that the internal 2009.energy is maximum at the inlet of the SCR systemand decreases towards the outlet. This representsthat the reaction is started from the inlet of SCRand finished well before the outlet of the SCR 408 | P a g e