Irreversible reaction

C2H4O2+CO+2H2C3H6O2+H2O

Direction
Irreversible
Processes
1
Stated as
Fixed conversion
Heat of reaction
ΔH = -201,700 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
C2H4O2Acetic acid64-19-7reactant-1
COCarbon monoxide630-08-0reactant-1
H2Hydrogen1333-74-0reactant-2
C3H6O2Propionic acid79-09-4product1
H2OWater7732-18-5product1

In the processes

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

    PROPCH3COOH + CO + 2 H2 → C2H5COOH + H2O

    Stated as
    Fixed conversion
    Element balance
    Balances in every element
    Conversion
    0.03919 % of CO (assumed: scripts/balance.py: 500 ppm(wt) propionic acid on product (ASSUMED within the reported Cativa range, D-004); the lumped stoichiometry is a modelling choice, not the mechanism)
    Heat of reaction
    ΔH = -201,700 kJ/kmol at 298.15 K, as written (given: formation enthalpies at 298.15 K, liquid acids and water, NIST Chemistry WebBook)

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:10.1595/003214000X44394105

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

  2. scripts/balance.py: 500 ppm(wt) propionic acid on product (ASSUMED within the reported Cativa range, D-004); the lumped stoichiometry is a modelling choice, not the mechanism

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

  3. formation enthalpies at 298.15 K, liquid acids and water, NIST Chemistry WebBook

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