Complete oxidation of formaldehyde over Pt-based catalysts

methanalCH2OH2COplatinum
Kinetics is relevant to oxygen-rich exhaust conditions of lean-burn natural gas engines. Surface reaction mechanism is evaluated by comparison of numerical simulations with data derived from isothermal end-of-pipe tests over powdered Pt-TiO2-SiO2 catalyst in a packed-bed reactor as well as spatially resolved concentration measurements conducted with catalytic monolith sample in a flow reactor equipped with an in-situ probe technique, in the temperature range from 393 to 773K. Furthermore, the applicability of the reaction kinetics at low temperature (< 393K) was tested on the experimental data from literature. Surface kinetics is thermodynamically consistent for a temperature range 273 – 1273K.
Reaction type
surface
Reactants
formaldehyde
Version
1.0 (November 2018)
Reference

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SURFACE MECHANISM FOR OXIDATION OF FORMALDEHYDE OVER PLATINUM
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****                                                                  *
****     CH2O/O2 OVER PT - SURFACE MECHANISM                          *
****     thermodynamically consistent (273 - 1273K)                   *
****                                                                  *
****     B. TORKASHVAND, L. MAIER, O. DEUTSCHMANN                     *                        
****     KIT (Karlsruhe Institute of Technology)                      *
****                                                                  *
****     References:                                                  *
****     B. Torkashvand, L. Maier; P. Lott; T. Schedlbauer,           *
****     J.-D. Grunwaldt, O. Deutschmann. Top Catal (2018)            * 
****     https://doi.org/10.1007/s11244-018-1087-y                    *
****     www.detchem.com/mechanisms                                   * 
****     KIT (Karlsruhe Institute of Technology)                      *
****     Contact: [email protected] (O. Deutschmann)                   * 
****     www.detchem.com/mechanisms                                   * 
****                                                                  *
****                                                                  *
****     Kinetic data:                                                *
****      k = A * T**b * exp (-Ea/RT)         A          b       Ea   *
****                                       (cm,mol,s)    -     kJ/mol *
****                                                                  *
****     STICK: A in next reaction is initial sticking coefficient    *
****                                                                  *
****                                                                  *
****     (DETCHEM format)                                             *
****                                                                  * 
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STICK
Pt(s)   +Pt(s)   +H2      >H(s)    +H(s)      6.449E-02 -0.046    -0.261
STICK
O2      +Pt(s)   +Pt(s)   >O(s)    +O(s)      3.537E-02  0.001    -0.088
STICK
H2O     +Pt(s)   >H2O(s)                      3.918E-01  0.026     0.126
STICK
CO2     +Pt(s)   >CO2(s)                      4.046E-05 -0.027     0.049
STICK
CO      +Pt(s)   >CO(s)                       7.603E-01  0.008    -0.185
STICK
CH2O    +Pt(s)   >CH2O(s)                     9.729E-01  0.005     0.034
H(s)    +H(s)    >H2      +Pt(s)   +Pt(s)     1.295E+21  0.185    75.446
O(s)    +O(s)    >O2      +Pt(s)   +Pt(s)     2.323E+21 -0.002   213.611
$O(s)                                                    0.000    90.000
H2O(s)  >H2O     +Pt(s)                       8.055E+14 -0.106    39.695
CO(s)   >CO      +Pt(s)                       4.471E+12 -0.030   134.638
$CO(s)                                                   0.000    40.000
CO2(s)  >CO2     +Pt(s)                       2.332E+08  0.110    14.902
CH2O(s) >CH2O    +Pt(s)                       1.439E+15 -0.079     7.160
H(s)    +O(s)    >Pt(s)   +OH(s)              2.419E+21 -0.095    85.249
$O(s)                                                    0.000    45.000
Pt(s)   +OH(s)   >H(s)    +O(s)               6.201E+20  0.095    63.701
H(s)    +OH(s)   >H2O(s)  +Pt(s)              5.550E+21 -0.100     9.497
H2O(s)  +Pt(s)   >H(s)    +OH(s)              2.703E+21  0.100   127.653
OH(s)   +OH(s)   >H2O(s)  +O(s)               2.177E+21 -0.005    99.998
H2O(s)  +O(s)    >OH(s)   +OH(s)              4.135E+21  0.005   239.702
$O(s)                                                    0.000    45.000
C(s)    +O(s)    >CO(s)   +Pt(s)              5.200E+21  0.000     0.400
$O(s)                                                    0.000    45.000
CO(s)   +Pt(s)   >C(s)    +O(s)               2.500E+21  0.000   226.300
$CO(s)                                                   0.000    40.000
CO(s)   +O(s)    >CO2(s)  +Pt(s)              2.332E+20  0.110    79.902
$O(s)                                                    0.000    45.000
$CO(s)                                                   0.000    40.000
CO2(s)  +Pt(s)   >CO(s)   +O(s)               1.286E+23 -0.110   137.178
CO(s)   +H(s)    >Pt(s)   +HCO(s)             1.105E+20 -0.087   150.367
$CO(s)                                                   0.000    40.000
Pt(s)   +HCO(s)  >CO(s)   +H(s)               1.673E+21  0.087     0.633
O(s)    +HCO(s)  >CO(s)   +OH(s)              2.843E+22 -0.008    -0.093
$O(s)                                                    0.000    45.000
CO(s)   +OH(s)   >O(s)    +HCO(s)             4.815E+20  0.008   128.093
$CO(s)                                                   0.000    40.000
CH2O(s) +Pt(s)   >H(s)    +HCO(s)             4.908E+21  0.087    45.633
H(s)    +HCO(s)  >CH2O(s) +Pt(s)              2.789E+21 -0.087    55.167
CH2O(s) +O(s)    >OH(s)   +HCO(s)             9.694E+21 -0.008    26.907
$O(s)                                                    0.000    45.000
OH(s)   +HCO(s)  >CH2O(s) +O(s)               1.412E+21  0.008    14.893
END
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