Reversible reaction

CO+Cl2COCl2

Direction
Reversible (an equilibrium)
Processes
1
Stated as
Fixed conversion
Heat of reaction
ΔH = -108,505 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
COCarbon monoxide630-08-0reactant-1
Cl2Chlorine7782-50-5reactant-1
COCl2Phosgene75-44-5product1

In the processes

  • Phosgene from CO and chlorine over activated carbon (17.3 t/h liquid phosgene, captive)Concept · not reviewed

    PHOSGENECO + Cl2 ⇌ COCl2

    Stated as
    Fixed conversion
    Element balance
    Balances in every element
    Conversion
    100 % of CL2 (assumed: D-005: chlorine almost completely converted with 5 % CO excess, set so that the liquid phosgene holds < 50 ppm(wt) Cl2, the product target of EP1640341A2 (Bayer MaterialScience 2006, description); scripts/balance.py gives 35 ppm(wt))
    Heat of reaction
    ΔH = -108,505 kJ/kmol at 298.15 K, as written (given: ideal-gas formation enthalpies of materials.yaml (ATcT), 298.15 K; Mitchell et al. 2012 (doi:10.1039/C2CY20224G) report -107.6 kJ/mol, as cited by Hughes et al. 2023 (doi:10.1039/D3RE00354J, section 1))
    Catalyst
    activated carbon

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. Hughes, Rossi, Lennon (2023) React. Chem. Eng. 8, 3150-3161, doi:10.1039/D3RE00354J (CC BY 3.0), sections 1, 2.1.2, 3.2.3

    For the reaction · cited by Phosgene from CO and chlorine over activated carbon (17.3 t/h liquid phosgene, captive)

  2. Mitchell et al. (2012) Catal. Sci. Technol. 2, 2109-2115, doi:10.1039/C2CY20224G (not read in full; cited through Hughes 2023)

    For the reaction · cited by Phosgene from CO and chlorine over activated carbon (17.3 t/h liquid phosgene, captive)

  3. EP1640341A2, Bayer MaterialScience AG (2006): multitubular reactor, CO excess, pressure, coolant (description)

    For the reaction · cited by Phosgene from CO and chlorine over activated carbon (17.3 t/h liquid phosgene, captive)

  4. D-005: chlorine almost completely converted with 5 % CO excess, set so that the liquid phosgene holds < 50 ppm(wt) Cl2, the product target of EP1640341A2 (Bayer MaterialScience 2006, description); scripts/balance.py gives 35 ppm(wt)

    For the conversion · cited by Phosgene from CO and chlorine over activated carbon (17.3 t/h liquid phosgene, captive)

  5. ideal-gas formation enthalpies of materials.yaml (ATcT), 298.15 K; Mitchell et al. 2012 (doi:10.1039/C2CY20224G) report -107.6 kJ/mol, as cited by Hughes et al. 2023 (doi:10.1039/D3RE00354J, section 1)

    For the heat of reaction · cited by Phosgene from CO and chlorine over activated carbon (17.3 t/h liquid phosgene, captive)