SURFACE MECHANISM FOR BIOGAS STEAM REFORMING OVER NICKEL WITH SULFUR POISONING *********************************************************************** **** * **** CH4/H2S - SURFACE MECHANISM OVER NI * **** * **** References:S. Appari, V. M. Janardhanan, R. Bauri,S. Jayanti,* **** O. Deutschmann, Appl. Catal. A. 471 (2014) 118-125 * **** * **** Contact: mail@detchem.com (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) * **** * *********************************************************************** **** STICK H2 +NI(s) +NI(s) >H(s) +H(s) 1.000E-02 0.0 0.00 H(s) +H(s) >NI(s) +NI(s) +H2 2.676E+19 0.0 81.40 **** STICK O2 +NI(s) +NI(s) >O(s) +O(s) 1.000E-02 0.0 0.00 O(s) +O(s) >NI(s) +NI(s) +O2 4.143E+23 0.0 474.93 **** STICK CH4 +NI(s) >CH4(s) 8.000E-03 0.0 0.00 CH4(s) >NI(s) +CH4 8.386E+15 0.0 37.46 **** STICK H2O +NI(s) >H2O(s) 1.000E-01 0.0 0.00 H2O(s) >NI(s) +H2O 3.823E+12 0.0 60.78 **** STICK CO2 +NI(s) >CO2(s) 1.000E-05 0.0 0.00 CO2(s) >NI(s) +CO2 6.483E+07 0.0 25.95 **** STICK CO +NI(s) >CO(s) 5.000E-01 0.0 0.00 CO(s) >NI(s) +CO 3.677E+11 0.0 111.39 $CO(s) 0.0 50.00 **** STICK H2S +NI(s) >H2S(s) 6.000E-01 0.0 0.00 H2S(s) >NI(s) +H2S 1.108E+10 -0.8 69.47 **** STICK SO2 +NI(s) >SO2(s) 2.000E-02 0.0 0.00 SO2(s) >NI(s) +SO2 2.709E+09 0.0 102.50 **** O(s) +H(s) >OH(s) +NI(s) 5.000E+22 0.0 97.90 OH(s) +NI(s) >O(s) +H(s) 1.793E+21 0.0 36.14 **** OH(s) +H(s) >H2O(s) +NI(s) 3.000E+20 0.0 42.70 H2O(s) +NI(s) >OH(s) +H(s) 2.251E+21 0.0 91.79 **** OH(s) +OH(s) >O(s) +H2O(s) 3.000E+21 0.0 100.00 O(s) +H2O(s) >OH(s) +OH(s) 6.276E+23 0.0 210.85 **** O(s) +C(s) >CO(s) +NI(s) 5.200E+23 0.0 148.10 CO(s) +NI(s) >O(s) +C(s) 1.344E+22 -3.0 116.06 $CO(s) 0.0 50.00 **** O(s) +CO(s) >CO2(s) +NI(s) 2.000E+19 0.0 123.60 $CO(s) 0.0 50.00 CO2(s) +NI(s) >O(s) +CO(s) 4.627E+23 -1.0 89.35 **** HCO(s) +NI(s) >CO(s) +H(s) 3.700E+21 0.0 0.00 $CO(s) 0.0 -50.00 CO(s) +H(s) >HCO(s) +NI(s) 3.903E+20 -1.0 132.20 **** HCO(s) +NI(s) >O(s) +CH(s) 3.700E+24 -3.0 95.80 O(s) +CH(s) >HCO(s) +NI(s) 4.741E+20 0.0 110.00 **** CH4(s) +NI(s) >CH3(s) +H(s) 3.700E+21 0.0 57.70 CH3(s) +H(s) >CH4(s) +NI(s) 5.903E+21 0.0 61.51 **** CH3(s) +NI(s) >CH2(s) +H(s) 3.700E+24 0.0 100.00 CH2(s) +H(s) >CH3(s) +NI(s) 1.265E+23 0.0 55.26 **** CH2(s) +NI(s) >CH(s) +H(s) 3.700E+24 0.0 97.10 CH(s) +H(s) >CH2(s) +NI(s) 4.001E+24 0.0 79.11 **** CH(s) +NI(s) >C(s) +H(s) 3.700E+21 0.0 18.80 C(s) +H(s) >CH(s) +NI(s) 4.529E+22 0.0 161.06 **** O(s) +CH4(s) >CH3(s) +OH(s) 1.700E+24 0.0 88.30 CH3(s) +OH(s) >O(s) +CH4(s) 9.728E+22 0.0 30.35 **** O(s) +CH3(s) >CH2(s) +OH(s) 3.700E+24 0.0 130.10 CH2(s) +OH(s) >O(s) +CH3(s) 4.538E+21 0.0 23.60 **** O(s) +CH2(s) >CH(s) +OH(s) 3.700E+24 0.0 126.80 CH(s) +OH(s) >O(s) +CH2(s) 1.435E+23 0.0 47.05 **** O(s) +CH(s) >C(s) +OH(s) 3.700E+21 0.0 48.10 C(s) +OH(s) >O(s) +CH(s) 1.624E+21 0.0 128.60 **** H2S(s) +NI(s) >SH(s) +H(s) 5.500E+04 1.2 29.31 SH(s) +H(s) >H2S(s) +NI(s) 1.291E+13 0.0 106.19 **** SH(s) +NI(s) >S(s) +H(s) 7.900E+11 0.0 25.79 S(s) +H(s) >SH(s) +NI(s) 6.375E+15 0.0 142.94 **** H2S(s) +O(s) >SH(s) +OH(s) 8.000E+11 -0.5 27.84 SH(s) +OH(s) >H2S(s) +O(s) 1.052E+13 0.0 29.72 **** S(s) +O(s) >SO(s) +NI(s) 1.000E+18 1.0 296.82 SO(s) +NI(s) >S(s) +O(s) 1.775E+12 0.0 -78.73 **** SH(s) +O(s) >SO(s) +H(s) 1.000E+14 -1.0 206.05 SO(s) +H(s) >SH(s) +O(s) 2.115E+05 0.0 -67.93 **** S(s) +OH(s) >SO(s) +H(s) 1.000E+21 1.0 229.02 SO(s) +H(s) >S(s) +OH(s) 3.352E+23 -2.0 -69.19 **** SO2(s) +NI(s) >SO(s) +O(s) 1.000E+18 -0.5 106.31 SO(s) +O(s) >SO2(s) +NI(s) 9.029E+09 1.5 -26.02 **** S(s) +H2O(s) >SH(s) +OH(s) 1.000E+10 0.0 143.37 SH(s) +OH(s) >S(s) +H2O(s) 1.652E+05 0.0 -22.87 **** SH(s) +CO(s) >S(s) +HCO(s) 1.000E+04 0.0 61.82 $CO(s) 0.0 50.00 S(s) +HCO(s) >SH(s) +CO(s) 1.991E+12 0.0 54.55 **** SH(s) +CO(s) >SO(s) +CH(s) 1.000E+23 0.0 223.41 $CO(s) 0.0 50.00 SO(s) +CH(s) >SH(s) +CO(s) 3.066E+28 0.0 -129.63 **** S(s) +CO(s) >SO(s) +C(s) 1.000E+13 0.0 206.12 $CO(s) 0.0 50.00 SO(s) +C(s) >S(s) +CO(s) 4.651E+15 0.0 -121.81 **** END