Urea and by-product decomposition on TiO2 and VWT

ureaVWT
Based on experimental measurements by thermogravimetric analysis (TGA) the mechanism for surface reactions of urea decomposition and by-product formation on TiO2 and VWT was developed.
Reaction type
surface
Reactants
urea
Version
1.0 (Sep 2021)
Reference

C. Kuntz, H. Weickenmeier, M. Börnhorst, O. Deutschmann: Deposition and decomposition of urea and its by-products on TiO2 and VWT-SCR catalysts; International Journal of Heat and Fluid Flow, submitted, 2021

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<SURFACE name="VWT">

    <GLOBAL>
        cya(s) + TiO2(s) > 3 HNCO + TiO2(s)
        <Arrhenius>
      	    A/SIunits =  2.0e+6
            Ea/kJ_mol  = 104.37
        </Arrhenius>
    </GLOBAL>

    <GLOBAL>
        cya(g) + TiO2(s) > 3 HNCO + TiO2(s)
        <Arrhenius>
      	    A/SIunits =  1.960e+9
            Ea/kJ_mol  = 104.37
			</Arrhenius>
    </GLOBAL>

    <GLOBAL>
        urea(l) + urea(l) + TiO2(s) > biu(l) + NH3 + TiO2(s)
        <Arrhenius>
      	    A/SIunits =  1.0e4
            Ea/kJ_mol  = 99
        </Arrhenius>
    </GLOBAL>
	
	<GLOBAL>
        biu(l) + urea(l) + TiO2(s) > cya(s) + 2 NH3 + TiO2(s)
        <Arrhenius>
      	    A/SIunits =  0.8e6
            Ea/kJ_mol  = 116.5
        </Arrhenius>
    </GLOBAL>
	
	<GLOBAL>
        biu(l) + urea(l) + TiO2(s) > ammd(s) + NH3 + H2O + TiO2(s)
        <Arrhenius>
      	    A/SIunits =  0.2e6
            Ea/kJ_mol  = 116.5
        </Arrhenius>
    </GLOBAL>

	<GLOBAL>
        melem(s) + TiO2(s) > 6 HCN(g) + 2 N2 + TiO2(s)
		<ARRHENIUS>
			A/cm_units = 2.0e14
			Ea/kJ_mol = 165.67
		</ARRHENIUS>
    </GLOBAL>
	
	<GLOBAL>
        2 triu(s) + V(s) > cya(s) + 3 HNCO(l) + 2 NH3 + V(s)
		<Arrhenius>
		   triu(s) 1
           A/SIunits  = 1.0e8   #2.4e1
           Ea/kJ_mol  = 90  #42
		</Arrhenius>
    </GLOBAL>
	
	<GLOBAL>
        biu(l) + V(s) > 2 HNCO(l) + NH3 + V(s)
		<Arrhenius>
           A/SIunits  = 0.5e8  #4.0e3
           Ea/kJ_mol  = 90  #45
		</Arrhenius>
    </GLOBAL>
	
    <GLOBAL>
        urea(l) + urea(l) + V(s) > biu(l) + NH3 + V(s)
        <Arrhenius>
      	    A/SIunits =  3.0e6  #1e4
            Ea/kJ_mol  = 99     #99
        </Arrhenius>
    </GLOBAL>	

	<GLOBAL>
        3 ammd(s) + V(s) > 2 ammn(s) + H2NCN(s) + 2 CO2 + V(s)
		<ARRHENIUS>
			ammd(s)  1
               A/cm_units = 2e19
               Ea/kJ_mol  = 165.67
		</ARRHENIUS>
    </GLOBAL>
	
	<GLOBAL>
           ammn(s) + V(s)> HNCO + 2 H2NCN(s) + V(s)
           <ARRHENIUS>
               A/cm_units = 5.0e18
               Ea/kJ_mol  = 165.67
  	     </ARRHENIUS>
       </GLOBAL>
	
	<GLOBAL>
        melem(s) + V(s) > 6 HCN(g) + 2 N2 + V(s)
		<ARRHENIUS>
			A/cm_units = 5.0e16
			Ea/kJ_mol = 165.67
		</ARRHENIUS>
    </GLOBAL>

</SURFACE>
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