Irreversible reaction

CH4O+H2givesCH4+H2O

Direction
Irreversible
Processes
1
Stated as
Fixed conversion
Heat of reaction
ΔH = -121,200 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
H2Hydrogen1333-74-0reactant-1
CH4Methane74-82-8product1
H2OWater7732-18-5product1

In the processes

  • MEOH_CH4CH3OH + H2 → CH4 + H2O

    Stated as
    Fixed conversion
    Element balance
    Balances in every element
    Conversion
    0.8591 % of CH3OH (assumed: scripts/balance.py: CH4 formed = 0.9 % of the carbonylation rate (US 6,140,535 Examples 1-5 report 0.81-1.02 %), D-004; the lumped stoichiometry is a modelling choice)
    Heat of reaction
    ΔH = -121,200 kJ/kmol at 298.15 K, as written (given: formation enthalpies at 298.15 K, liquid CH3OH and H2O, 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. 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. scripts/balance.py: CH4 formed = 0.9 % of the carbonylation rate (US 6,140,535 Examples 1-5 report 0.81-1.02 %), D-004; the lumped stoichiometry is a modelling choice

    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 CH3OH and H2O, NIST Chemistry WebBook

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