Irreversible reaction

C2H2O+C2H4O2C4H6O3

Direction
Irreversible
Processes
1
Stated as
Fixed conversion
Heat of reaction
ΔH = -91,730 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
C2H2OKetene463-51-4reactant-1
C2H4O2Acetic acid64-19-7reactant-1
C4H6O3Acetic anhydride108-24-7product1

In the processes

  • Acetic anhydride by the ketene route (acetic acid cracking, 50 kt/a, concept)Concept · not reviewed

    ABSORBCH2CO + CH3COOH → (CH3CO)2O

    Stated as
    Fixed conversion
    Element balance
    Balances in every element
    Conversion
    98.01 % of KET (assumed: D-007: 99 % of the ketene absorbed, 99 % of that to anhydride)
    Heat of reaction
    ΔH = -91,730 kJ/kmol at 298.15 K, as written (calculated: ideal-gas formation enthalpies of process/materials.yaml at 298.15 K (-572500 + 48570 + 432200 kJ/kmol); US 8,653,303 B2 (Primary Reaction) states -63 kJ/mol, see DESIGN.md D-007)
    Catalyst
    none (liquid-phase reactive absorption)

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. US 8,653,303 B2 (Celanese, 2014), Primary Reaction section

    For the reaction · cited by Acetic anhydride by the ketene route (acetic acid cracking, 50 kt/a, concept)

  2. D-007: 99 % of the ketene absorbed, 99 % of that to anhydride

    For the conversion · cited by Acetic anhydride by the ketene route (acetic acid cracking, 50 kt/a, concept)

  3. ideal-gas formation enthalpies of process/materials.yaml at 298.15 K (-572500 + 48570 + 432200 kJ/kmol); US 8,653,303 B2 (Primary Reaction) states -63 kJ/mol, see DESIGN.md D-007

    For the heat of reaction · cited by Acetic anhydride by the ketene route (acetic acid cracking, 50 kt/a, concept)