Catalytic Kinetics: methanol_synthesis
Catalytic reaction kinetics data — activation energy, pre-exponential factors, rate expressions, selectivity, conversion, and deactivation rates for industrial catalytic processes
| reaction id | catalyst id | activation energy kJ mol (kJ/mol) | catalyst name | conversion pct typical (%) | deactivation rate hr (1/hr) | equilibrium constant expression | notes | pre exponential factor | pre exponential units | pressure range bar | rate expression | rate law type | reaction order forward | reaction stoichiometry | selectivity pct (%) | space velocity hr | temperature range C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| methanol_synthesis | cu_zno_al2o3_graaf | 57.9 | Cu/ZnO/Al2O3 - Graaf three-reaction model | 22 | 0.00001 | K_p1 = exp(11.985 - 9143.6/T) | Graaf et al (1988) Chem Eng Sci 43(12):3185; 3-reaction model includes CO and CO2 hydrogenation + RWGS; most widely referenced | 0.004089 | mol/kg_cat/s/bar^n | 40-100 | r_CO = k*K_CO*(P_CO*P_H2^1.5 - P_CH3OH/(P_H2^0.5*K_p1)) / ((1+K_CO*P_CO+K_CO2*P_CO2)*(P_H2^0.5+K_H2O/K_H2^0.5*P_H2O)) | langmuir_hinshelwood | 1 | CO + 2H2 ⇌ CH3OH | 99 | 5000-15000 | 200-300 |
| methanol_synthesis | cu_zno_al2o3_vb | 36.7 | Cu/ZnO/Al2O3 - Vanden Bussche Froment | 25 | 0.00001 | K_MeOH = exp(3066/T - 10.592) | Vanden Bussche & Froment (1996) J Catal 161:1; CO2-based methanol route dominant; CO via RWGS; typical 5-10% per pass | 0.00107 | mol/kg_cat/s/bar^n | 30-100 | r_MeOH = k*(P_CO2*P_H2^1.5 - P_CH3OH*P_H2O/(P_H2^1.5*K_MeOH)) / (1+K_H2O/K_H2^0.5*P_H2O/P_H2^0.5+K_H2^0.5*P_H2^0.5+K_H2O*P_H2O) | langmuir_hinshelwood | 1 | CO2 + 3H2 ⇌ CH3OH + H2O | 99.9 | 4000-20000 | 180-280 |
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