Irreversible reaction

C16H12O2+H2EAHQ

Direction
Irreversible
Processes
1
Stated as
Fixed conversion
Heat of reaction
ΔH = -110,300 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
C16H12O22-Ethylanthraquinone84-51-5reactant-1
H2Hydrogen1333-74-0reactant-1
EAHQ2-Ethylanthrahydroquinonenone (not merged across processes)product1

In the processes

  • Hydrogen peroxide by the anthraquinone autoxidation process (50 kt/a H2O2, 50 wt%)Concept · not reviewed

    HYDEAQ + H2 → EAHQ

    Stated as
    Fixed conversion
    Element balance
    Balances in every element
    Conversion
    45 % of EAQ (assumed: D-005: below the BREF limit of 60 % of the total quinone per pass (LVOC BREF 2017, 12.2.2.2))
    Heat of reaction
    ΔH = -110,300 kJ/kmol at 298.15 K, as written (assumed: D-005: -187.78 kJ/mol (H2O2 liquid, NIST) minus the oxidation heat of -77.5 kJ/mol (BREF 12.3.4 d); derived, not measured)
    Catalyst
    Pd on alumina, fixed bed (D-003)

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. doi:10.2760/77304

    For the reaction · cited by Hydrogen peroxide by the anthraquinone autoxidation process (50 kt/a H2O2, 50 wt%)

  2. D-005: below the BREF limit of 60 % of the total quinone per pass (LVOC BREF 2017, 12.2.2.2)

    For the conversion · cited by Hydrogen peroxide by the anthraquinone autoxidation process (50 kt/a H2O2, 50 wt%)

  3. D-005: -187.78 kJ/mol (H2O2 liquid, NIST) minus the oxidation heat of -77.5 kJ/mol (BREF 12.3.4 d); derived, not measured

    For the heat of reaction · cited by Hydrogen peroxide by the anthraquinone autoxidation process (50 kt/a H2O2, 50 wt%)