Catalytic Kinetics: ammonia_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 | space velocity hr | temperature range C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ammonia_synthesis | fe_promoted_haber | 162 | Fe-based Haber-Bosch promoted iron | 15-25 | 0.00001 | Keq = exp(11.28 - 3.19e4/T + 5.76e-3*T) | Temkin-Pyzhev kinetics alpha=0.5; promoted with K2O Al2O3; N2 dissociative adsorption is RDS; Ea varies 100-170 kJ/mol depending on conditions | 17,690 | mol/kg_cat/s | 100-350 | r = k_f*(P_N2*(P_H2^3/P_NH3^2)^alpha - k_r*(P_NH3^2/P_H2^3)^(1-alpha)) | temkin_pyzhev | 0.5 | N2 + 3H2 ⇌ 2NH3 | 5000-30000 | 350-550 |
| ammonia_synthesis | fe_promoted_nielson | 155 | Fe-based Nielson kinetic model | 18-22 | 0.000008 | Keq = exp(13.29 - 3.356e4/T) | Nielson modification with explicit equilibrium approach; widely used in industrial reactor simulations | 23,400 | mol/kg_cat/s | 150-300 | r = k*(P_N2*P_H2^3/P_NH3^2)^0.5 * (1 - P_NH3^2/(Keq^2*P_N2*P_H2^3)) | temkin_pyzhev | 0.5 | N2 + 3H2 ⇌ 2NH3 | 8000-20000 | 400-500 |
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