Reversible reaction

C2H4O2+H2OCH2O2+CH4O

Direction
Reversible (an equilibrium)
Processes
1
Stated as
Fixed conversion
Heat of reaction
ΔH = 8,000 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
C2H4O2Methyl formate107-31-3reactant-1
H2OWater7732-18-5reactant-1
CH2O2Formic acid64-18-6product1
CH4OMethanol67-56-1product1

In the processes

  • Formic acid 85 wt% by methanol carbonylation and methyl formate hydrolysis (50 kt/a)Concept · not reviewed

    HYDHCOOCH3 + H2O ⇌ HCOOH + CH3OH

    Stated as
    Fixed conversion
    Phase
    liquid
    Element balance
    Balances in every element
    Conversion
    28.92 % of MF (assumed: scripts/balance.py (D-008): 95 % of the equilibrium conversion of the reactor feed (water/MF 1.5 mol/mol, formic acid and methanol of the recycles) with Kx = 0.20; Kx from EP2747883A1 (background: K = 0.18-0.24) and EP3661904B1 (examples: Kx 0.18); the 95 % approach ASSUMED (US4299981, an unverified lead: its full text is not read, D-008). EP3661904B1 reports 28 % and 32 % at water/ester 1.42 and 1.82)
    Heat of reaction
    ΔH = 8,000 kJ/kmol at 298.15 K, as written (assumed: D-008: nearly thermoneutral, ASSUMED +8 kJ/mol (liquid); no sourced liquid-phase value read yet (open input))
    Equilibrium constant
    a: -1.6094; basis: mole_fraction; temperature range: 363.15 – 413.15 (given: EP2747883A1 (background): K = 0.18-0.24; EP3661904B1 (examples): Kx 0.18; mid value 0.20 (D-008))
    Catalyst
    formic acid (autocatalytic; EP2747883A1)

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. EP2747883A1, Taminco BV (2014): hydrolysis 90-140 C, 2-7 bar, autocatalysed by formic acid, K 0.18-0.24, decomposition to CO above about 140 C

    For the reaction · cited by Formic acid 85 wt% by methanol carbonylation and methyl formate hydrolysis (50 kt/a)

  2. EP3661904B1, Eastman Chemical Co. (A1 2020, B1 2026): conversion 25-30 % even at water/ester 2, Kx 0.18

    For the reaction · cited by Formic acid 85 wt% by methanol carbonylation and methyl formate hydrolysis (50 kt/a)

  3. US4299981 (unverified lead: claims and abstract as returned by search, full text not read): liquid-phase hydrolysis 90-140 C, 5-18 atm, a molar ratio of ester and water of 1.5-10 whose direction the search text leaves unclear (it covers the design's water/ester 1.5 only if read as water/ester), reactor for >= 95 % of equilibrium

    For the reaction · cited by Formic acid 85 wt% by methanol carbonylation and methyl formate hydrolysis (50 kt/a)

  4. scripts/balance.py (D-008): 95 % of the equilibrium conversion of the reactor feed (water/MF 1.5 mol/mol, formic acid and methanol of the recycles) with Kx = 0.20; Kx from EP2747883A1 (background: K = 0.18-0.24) and EP3661904B1 (examples: Kx 0.18); the 95 % approach ASSUMED (US4299981, an unverified lead: its full text is not read, D-008). EP3661904B1 reports 28 % and 32 % at water/ester 1.42 and 1.82

    For the conversion · cited by Formic acid 85 wt% by methanol carbonylation and methyl formate hydrolysis (50 kt/a)

  5. D-008: nearly thermoneutral, ASSUMED +8 kJ/mol (liquid); no sourced liquid-phase value read yet (open input)

    For the heat of reaction · cited by Formic acid 85 wt% by methanol carbonylation and methyl formate hydrolysis (50 kt/a)