Irreversible reaction

Total combustion of ethylene (side reaction, R-101)

Direction: Irreversible
Processes: 4
Stated as: Fixed conversion, Stoichiometry only
Heat of reaction: ΔH = -1,323,152 kJ/kmol (2 processes)
Heat of reaction: ΔH = -1,323,000 kJ/kmol (one process)
Element balance: Checked: balances in all 4 processes

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

Species	Name	CAS	Role	Coefficient
C₂H₄	Ethylene	74-85-1	reactant	-1
O₂	Oxygen	7782-44-7	reactant	-3
CO₂	Carbon dioxide	124-38-9	product	2
H₂O	Water	7732-18-5	product	2

In the processes

Acetaldehyde by the one-stage Wacker oxidation of ethylene (100 kt/a)Concept · not reviewed
R3C2H4 + 3 O2 → 2 CO2 + 2 H2O
Element balance
Balances in every element
Heat of reaction
ΔH = -1,323,152 kJ/kmol at 298.15 K, as written (calculated: ideal-gas formation enthalpies of materials.yaml, 298.15 K)
Acetic anhydride by the ketene route (acetic acid cracking, 50 kt/a, concept)Concept · not reviewed
COMB_C2H4C2H4 + 3 O2 → 2 CO2 + 2 H2O
Stated as
Fixed conversion
Element balance
Balances in every element
Conversion
100 % of C2H4 (assumed: D-010: complete combustion)
Heat of reaction
ΔH = -1,323,152 kJ/kmol at 298.15 K, as written (calculated: ideal-gas formation enthalpies of process/materials.yaml at 298.15 K)
Catalyst
none (combustion)
Ethylene and propylene by ethane steam cracking (1000 kt/a ethylene, concept)Concept · not reviewed
COMB_C2H4C2H4 + 3 O2 → 2 CO2 + 2 H2O
Stated as
Fixed conversion
Element balance
Balances in every element
Conversion
100 % of C2H4 (assumed: D-013: complete combustion)
Ethylene glycol by ethylene oxide hydration (glycols-only EO/EG plant, 1200 t/d MEG)Concept · not reviewed
COMB · Total combustion of ethylene (side reaction, R-101)C2H4 + 3 O2 → 2 CO2 + 2 H2O
Stated as
Fixed conversion
Element balance
Balances in every element
Conversion
1.35 % of C2H4 (assumed: D-004: fraction of the inlet C2H4 burnt = 0.09 x (1 - 0.85))
Heat of reaction
ΔH = -1,323,000 kJ/kmol at 298.15 K, as written (given: BREF LVOC 2017 (JRC109279), section 7.2.1.1.1, p. 363)

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.

ideal-gas formation enthalpies of materials.yaml, 298.15 K
For the heat of reaction · cited by Acetaldehyde by the one-stage Wacker oxidation of ethylene (100 kt/a)
stoichiometry
For the reaction · cited by Acetic anhydride by the ketene route (acetic acid cracking, 50 kt/a, concept)
D-010: complete combustion
For the conversion · cited by Acetic anhydride by the ketene route (acetic acid cracking, 50 kt/a, concept)
ideal-gas formation enthalpies of process/materials.yaml at 298.15 K
For the heat of reaction · cited by Acetic anhydride by the ketene route (acetic acid cracking, 50 kt/a, concept)
D-013: complete combustion
For the conversion · cited by Ethylene and propylene by ethane steam cracking (1000 kt/a ethylene, concept)
BREF LVOC 2017 (JRC109279), section 7.2.1.1.1, p. 363
For the reaction and the heat of reaction · cited by Ethylene glycol by ethylene oxide hydration (glycols-only EO/EG plant, 1200 t/d MEG)
D-004: fraction of the inlet C2H4 burnt = 0.09 x (1 - 0.85)
For the conversion · cited by Ethylene glycol by ethylene oxide hydration (glycols-only EO/EG plant, 1200 t/d MEG)

Starter template

A starting template is in the ChemE-as-Code toolkit (Ethylene oxide (direct oxidation)): cheme chemistry library ethylene_oxide --add

Templates bring the stoichiometry, the components and typical catalysts; most give no conversion or kinetics, and their sources are general references, not this reaction's processes.