Irreversible reaction

CH4O+COC2H4O2

Direction
Irreversible
Processes
1
Stated as
Fixed conversion
Heat of reaction
ΔH = -134,600 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
CH4OMethanol67-56-1reactant-1
COCarbon monoxide630-08-0reactant-1
C2H4O2Acetic acid64-19-7product1

In the processes

  • Acetic acid by low-water iridium methanol carbonylation (60 t/h glacial acid, concept)Concept · not reviewed

    CARBCH3OH + CO → CH3COOH

    Stated as
    Fixed conversion
    Element balance
    Balances in every element
    Conversion
    95.45 % of CH3OH (assumed: scripts/balance.py: carbonylation extent for 60 t/h product over the reactor-inlet methanol of the design balance (D-004, D-006))
    Heat of reaction
    ΔH = -134,600 kJ/kmol at 298.15 K, as written (given: formation enthalpies at 298.15 K, NIST Chemistry WebBook (liquid CH3OH, CH3COOH; gas CO))
    Catalyst
    Ir/Ru with methyl iodide promoter (Cativa type, 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. US 6,140,535 (BP Chemicals), Examples 1-5

    For the reaction · cited by Acetic acid by low-water iridium methanol carbonylation (60 t/h glacial acid, concept)

  2. doi:10.1595/003214000X44394105

    For the reaction · cited by Acetic acid by low-water iridium methanol carbonylation (60 t/h glacial acid, concept)

  3. scripts/balance.py: carbonylation extent for 60 t/h product over the reactor-inlet methanol of the design balance (D-004, D-006)

    For the conversion · cited by Acetic acid by low-water iridium methanol carbonylation (60 t/h glacial acid, concept)

  4. formation enthalpies at 298.15 K, NIST Chemistry WebBook (liquid CH3OH, CH3COOH; gas CO)

    For the heat of reaction · cited by Acetic acid by low-water iridium methanol carbonylation (60 t/h glacial acid, concept)