Irreversible reaction

C6H5NO2+4H2C6H6+NH3+2H2O

Direction
Irreversible
Processes
1
Stated as
Stoichiometry only
Heat of reaction
ΔH = -514,444 kJ/kmol (one process)
Element balance
Checked: balances
As the processes state itStoichiometry, conversions, heats of reaction and catalyst windows are taken from each process's files with their provenance. The build checks only that each process's equation balances in every element, from the process's own component formulas; it does not check the numbers. A process's design maturity applies to them.

Species

SpeciesNameCASRoleCoefficient
C6H5NO2Nitrobenzene98-95-3reactant-1
H2Hydrogen1333-74-0reactant-4
C6H6Benzene71-43-2product1
NH3Ammonia7664-41-7product1
H2OWater7732-18-5product2

In the processes

  • Aniline by adiabatic gas-phase hydrogenation of nitrobenzene (25 t/h)Concept · not reviewed

    BZ_FORMC6H5NO2 + 4 H2 → C6H6 + NH3 + 2 H2O

    Element balance
    Balances in every element
    Heat of reaction
    ΔH = -514,444 kJ/kmol at 298.15 K, as written (calculated: ideal-gas formation enthalpies at 298.15 K of process/materials.yaml)
    Catalyst
    Palladium (with vanadium and lead promoters) on alpha-alumina, fixed bed · active phase Pd · promoters V, Pb, alpha-Al2O3
    Operating window
    473.15–773.15 K (200–500 °C), 200–2,000 kPa (2–20 bar) (given: US 2008/0234518 A1 (Bayer MaterialScience, 2008), description: preferred gas inlet 200-300 C, most preferred maximum catalyst temperature 500 C, preferred absolute pressure 2-20 bar; examples with about 0.9-1.8 mass% Pd plus V and Pb on alpha-alumina)
    Poisons
    sulfur compounds

Sources

What the processes cite for this reaction, each source once: for the reaction itself, its conversion, its heat of reaction or its catalyst. As the processes write them; DOIs, US patent numbers and web addresses are linked.

  1. ideal-gas formation enthalpies at 298.15 K of process/materials.yaml

    For the heat of reaction · cited by Aniline by adiabatic gas-phase hydrogenation of nitrobenzene (25 t/h)

  2. US 2008/0234518 A1 (Bayer MaterialScience, 2008), examples 1-3

    For the catalyst · cited by Aniline by adiabatic gas-phase hydrogenation of nitrobenzene (25 t/h)