Irreversible reaction

Hydrolysis of the acetyl chloride vapour that passes the vent condenser, in the scrubber

C2H3ClO+H2OC2H4O2+HCl

Direction
Irreversible
Processes
1
Stated as
Fixed conversion
Heat of reaction
ΔH = -48,000 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
C2H3ClOAcetyl chloride75-36-5reactant-1
H2OWater7732-18-5reactant-1
C2H4O2Acetic acid64-19-7product1
HClHydrogen chloride7647-01-0product1

In the processes

  • Acetyl chloride by semi-batch reaction of acetic acid with PCl3, phase split and batch distillation (2000 t/a)Concept · not reviewed

    AHYD · Hydrolysis of the acetyl chloride vapour that passes the vent condenser, in the scrubberC2H3ClO + H2O → C2H4O2 + HCl

    Stated as
    Fixed conversion
    Phase
    liquid
    Element balance
    Balances in every element
    Conversion
    100 % of ACCL (assumed: ASSUMED (D-010): acetyl chloride reacts violently with water (PubChem CID 6367, HSDB); the scrubber's water is in large excess)
    Heat of reaction
    ΔH = -48,000 kJ/kmol at 298.15 K, as written (assumed: derived from the CRC formation enthalpies packaged in chemicals 1.5.2 with acetyl chloride as the vapour it arrives as (-272.9 + 30.1 kJ/mol of vaporization, NIST) and HCl as a gas: -484.3 - 92.3 + 242.8 + 285.8 = -48.0 kJ/mol; the HCl's dissolution in the bleed is in scripts/balance.py (D-010))

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. PubChem CID 6367, acetyl chloride (HSDB): decomposes violently in water to acetic acid and hydrogen chloride

    For the reaction · cited by Acetyl chloride by semi-batch reaction of acetic acid with PCl3, phase split and batch distillation (2000 t/a)

  2. ASSUMED (D-010): acetyl chloride reacts violently with water (PubChem CID 6367, HSDB); the scrubber's water is in large excess

    For the conversion · cited by Acetyl chloride by semi-batch reaction of acetic acid with PCl3, phase split and batch distillation (2000 t/a)

  3. derived from the CRC formation enthalpies packaged in chemicals 1.5.2 with acetyl chloride as the vapour it arrives as (-272.9 + 30.1 kJ/mol of vaporization, NIST) and HCl as a gas: -484.3 - 92.3 + 242.8 + 285.8 = -48.0 kJ/mol; the HCl's dissolution in the bleed is in scripts/balance.py (D-010)

    For the heat of reaction · cited by Acetyl chloride by semi-batch reaction of acetic acid with PCl3, phase split and batch distillation (2000 t/a)