SURFACE MECHANISM OF THE CH4-O2 REACTIONS ON PLATINUM
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**** CH4-O2 SURFACE MECHANISM ON PT *
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**** Version 1.2 November 1995 *
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**** O. Deutschmann, IWR, Heidelberg University, Germany *
**** Contact: [email protected] (O. Deutschmann) *
**** *
**** Reference: *
**** O. Deutschmann, R. Schmidt, F. Behrendt, J. Warnatz. *
**** Proc. Combust. Inst. 26 (1996) 1747-1754. *
**** www.detchem.com/mechanisms *
**** *
**** *
**** Kinetic data format: DETCHEM *
**** k = A * T**b * exp (-Ea/RT) A b Ea *
**** (cm,mol,s) - kJ/mol *
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**** STICK: A in next reaction is initial sticking coefficient *
**** *
**** $.. : additional coverage dependence of Ea (3rd column) *
**** or changed reaction order (2nd column) *
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**** see manuals on www.detchem.com for details *
**** *
**** The kinetic data of the backward reactions of *
**** reactions in Section 3 are calculated *
**** from thermodynamics (k_b = k_f /K) *
**** *
**** Surface site density: 2.72E-9 mol/cm**2 *
**** *
**** DETCHEM format *
**** *
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**** 1. ADSORPTION
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STICK
H2 +_Pt_ +_Pt_ >H_Pt +H_Pt 0.046E-00 0.0 0.0
$_Pt_ 0.0 -1.0 0.0
STICK
H +_Pt_ >H_Pt 1.000E-00 0.0 0.0
O2 +_Pt_ +_Pt_ >O_Pt +O_Pt 1.800E+21 -0.5 0.0
STICK
O2 +_Pt_ +_Pt_ >O_Pt +O_Pt 2.300E-02 0.0 0.0
STICK
CH4 +_Pt_ +_Pt_ >CH3_Pt +H_Pt 1.000E-02 0.0 0.0
$_Pt_ 0.0 0.30 0.0
STICK
O +_Pt_ >O_Pt 1.000E-00 0.0 0.0
STICK
H2O +_Pt_ >H2O_Pt 0.750E+00 0.0 0.0
STICK
CO +_Pt_ >CO_Pt 8.400E-01 0.0 0.0
$_Pt_ 0.0 1.0 0.0
STICK
OH +_Pt_ >OH_Pt 1.000E-00 0.0 0.0
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**** 2. DESORPTION
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H_Pt +H_Pt >_Pt_ +_Pt_ +H2 3.700E+21 0.0 67.4
$H_Pt 0.0 0.0 6.0
O_Pt +O_Pt >_Pt_ +_Pt_ +O2 3.700E+21 0.0 213.0
$O_Pt 0.0 0.0 60.0
H2O_Pt >H2O +_Pt_ 1.000E+13 0.0 40.3
OH_Pt >OH +_Pt_ 1.000E+13 0.0 192.8
CO_Pt >CO +_Pt_ 1.000E+13 0.0 125.5
CO2_Pt >CO2 +_Pt_ 1.000E+13 0.0 20.5
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**** 3. SURFACE REACTIONS
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O_Pt +H_Pt =OH_Pt +_Pt_ 3.700E+21 0.0 11.5
H_Pt +OH_Pt =H2O_Pt +_Pt_ 3.700E+21 0.0 17.4
OH_Pt +OH_Pt =H2O_Pt +O_Pt 3.700E+21 0.0 48.2
CO_Pt +O_Pt >CO2_Pt +_Pt_ 3.700E+21 0.0 105.0
C_Pt +O_Pt >CO_Pt +_Pt_ 3.700E+21 0.0 62.8
CO_Pt +_Pt_ >C_Pt +O_Pt 1.000E+18 0.0 184.0
CH3_Pt +_Pt_ >CH2_Pt +H_Pt 3.700E+21 0.0 20.0
CH2_Pt +_Pt_ >CH_Pt +H_Pt 3.700E+21 0.0 20.0
CH_Pt +_Pt_ >C_Pt +H_Pt 3.700E+21 0.0 20.0
****
END
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