SURFACE MECHANISM OF THE H2-O2 REACTIONS ON PALLADIUM
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**** H2-O2 SURFACE MECHANISM ON Pd *
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**** Version 1.0 Summer 1994 *
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**** O. Deutschmann, IWR, Heidelberg University, Germany *
**** Contact: [email protected] (O. Deutschmann) *
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**** 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 *
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**** $.. : 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 *
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**** The kinetic data of the backward reactions of *
**** reactions in Section 2 are calculated *
**** from thermodynamics (k_b = k_f /K) *
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**** Surface site density: 1.55E-9 mol/cm**2 *
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**** DETCHEM format *
**** *
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**** 1. ADSORPTION / DESORPTION
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STICK
H2 +_Pd_ +_Pd_ >H_Pd +H_Pd 0.700E-00 0.0 0.0
H_Pd +H_Pd >_Pd_ +_Pd_ +H2 4.800E+21 0.0 84.0
$H_Pd 0.0 0.0 15.0
STICK
H +_Pd_ >H_Pd 1.000E-00 0.0 0.0
STICK
O2 +_Pd_ +_Pd_ >O_Pd +O_Pd 0.400E-00 0.0 0.0
O_Pd +O_Pd >_Pd_ +_Pd_ +O2 7.100E+21 0.0 230.0
STICK
O +_Pd_ >O_Pd 1.000E-00 0.0 0.0
STICK
H2O +_Pd_ >H2O_Pd 0.750E+00 0.0 0.0
H2O_Pd >H2O +_Pd_ 1.300E+13 0.0 44.0
STICK
OH +_Pd_ >OH_Pd 1.000E-00 0.0 0.0
OH_Pd >OH +_Pd_ 1.300E+13 0.0 213.0
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**** 2. SURFACE REACTIONS
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H_Pd +O_Pd =OH_Pd +_Pd_ 6.500E+21 0.0 11.5
H_Pd +OH_Pd =H2O_Pd +_Pd_ 6.500E+21 0.0 17.4
OH_Pd +OH_Pd =H2O_Pd +O_Pd 6.500E+21 0.0 48.2
****
END
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