Irreversible reaction

Neutralisation of the sulfuric acid of the spent brine (R-401)

Direction: Irreversible
Processes: 3
Stated as: Fixed conversion, Stoichiometry only
Heat of reaction: ΔH = -111,700 kJ/kmol (one process)
Heat of reaction: ΔH = -114,000 kJ/kmol (one process)
Element balance: Checked: balances in all 3 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
H₂SO₄	Sulfuric acid	7664-93-9	reactant	-1
NaOH	Sodium hydroxide	1310-73-2	reactant	-2
Na₂SO₄	Sodium sulfate	7757-82-6	product	1
H₂O	Water	7732-18-5	product	2

In the processes

Acetone and phenol from cumene (cumene hydroperoxide route, 200 kt/a phenol)Concept · not reviewed
NEUTRALISATIONH2SO4 + 2 NaOH → Na2SO4 + 2 H2O
Stated as
Fixed conversion
Element balance
Balances in every element
Conversion
100 % of H2SO4 (assumed: D-007: stoichiometric caustic)
Iodine from natural iodide brine by chlorine oxidation, air blowing-out and SO2 absorption (1000 t/a)Concept · not reviewed
NEU1 · Neutralisation of the sulfuric acid of the spent brine (R-401)H2SO4(aq) + 2 NaOH(aq) → Na2SO4(aq) + 2 H2O(l)
Stated as
Fixed conversion
Phase
liquid
Element balance
Balances in every element
Conversion
100 % of H2SO4 (assumed: D-009: caustic dosed to neutral)
Heat of reaction
ΔH = -111,700 kJ/kmol at 298.15 K, as written (assumed: 2 x heat of neutralisation H+ + OH- -> H2O, -55.8 kJ/mol (NBS tables, D-007))
Bleached softwood kraft pulp with chemical recovery (1000 ADt/d market pulp, concept)Concept · not reviewed
NEUT · Neutralisation (pH control with sulfuric acid)H2SO4 + 2 NaOH → Na2SO4 + 2 H2O
Element balance
Balances in every element
Heat of reaction
ΔH = -114,000 kJ/kmol at 298.15 K, as written (assumed: about -57 kJ per mol water formed (strong acid and base in dilute solution))

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.

D-007: stoichiometric caustic
For the conversion · cited by Acetone and phenol from cumene (cumene hydroperoxide route, 200 kt/a phenol)
D-009: caustic dosed to neutral
For the conversion · cited by Iodine from natural iodide brine by chlorine oxidation, air blowing-out and SO2 absorption (1000 t/a)
2 x heat of neutralisation H+ + OH- -> H2O, -55.8 kJ/mol (NBS tables, D-007)
For the heat of reaction · cited by Iodine from natural iodide brine by chlorine oxidation, air blowing-out and SO2 absorption (1000 t/a)
about -57 kJ per mol water formed (strong acid and base in dilute solution)
For the heat of reaction · cited by Bleached softwood kraft pulp with chemical recovery (1000 ADt/d market pulp, concept)