MaximaLabs
Back to gallery
Illustrative EDHOX process (Linde/Clariant catalyst technology)

Oxidative dehydrogenation of ethane to ethylene + acetic acid (EDHOX concept) — a PENG-ROBINSON process flowsheet

Linde's EDHOX technology co-produces ethylene AND acetic acid from ethane and oxygen in one catalytic step (a proprietary mixed-metal catalyst in a multi-tubular salt-cooled reactor), with combined ethylene+acetic-acid selectivity published above 93% and the CO₂ by-product of over-oxidation recovered pure (no nitrogen dilution, since the oxidant is pure O₂, not air). Modeled here as three chained fixed-conversion reactors on real, exactly mass-balanced reactions: the main dehydrogenation (C₂H₆ + 0.5 O₂ → C₂H₄ + H₂O), the acetic-acid co-production path (C₂H₆ + 1.5 O₂ → CH₃COOH + H₂O), and a minor full-oxidation loss path (C₂H₆ + 3.5 O₂ → 2 CO₂ + 3 H₂O) accounting for the un-selective balance — the same 'illustrative, not fitted' posture as the naphtha cracker's furnace, since Linde's catalyst kinetics are proprietary and not published. The per-reaction conversions here are tuned to reproduce the one real published number (>93% combined selectivity: this flowsheet computes ~96%), not an assumed per-pass ethane conversion, which Linde doesn't publish.

Modeling assumptions & limitations

  1. 1The acetic acid/water co-product is reported as one crude liquid stream (recovered via a simple cold knockout, ~98% of the acetic acid produced) — the real downstream acetic-acid/water dehydration column is not modeled, matching MaximaLabs's convention of disclosing every unmodeled downstream separation rather than implying a purity that wasn't computed.

204 views 0 forks

Ethane FEED
O2 FEED
MIX
ODH MAIN
ODH ACOH
ODH COX
COOL
Knockout
Crude ACOH
DRY GAS
What this showcases
  • Rigorous PENG-ROBINSON thermodynamics, solved by the same engine every simulation runs on.
  • 4 unit operations modeled: MIX, 3× ODH COX, COOL, Knockout.
  • Focus areas: EDHOX, Oxidative dehydrogenation, Ethylene, Acetic acid, CCUS.
Specification
Thermodynamics
PENG-ROBINSON
Components
ethane, ethylene, oxygen, acetic_acid, water, co2
Unit operations
MIX3× ODH COXCOOLKnockout
Open in workspace

Opens in a new tab, loaded straight into the app — no setup.

Read the step-by-step guide
Python SDK

Reproduce this exact result from Python — the real client.get_example() → run_and_wait() path, not a mockup.

from flowsim.sdk import FlowSimClient

client = FlowSimClient()
example = client.get_example("edhox-oxidative-dehydrogenation")
sim = client.create_simulation(example["title"], example["flowsheet"])
result = client.run_and_wait(sim["id"])

print(result["status"])              # "converged"
streams = client.streams(sim["id"])

Related models

Acetic acid plant, Texas City, Texas, USA

Acetic acid via methanol carbonylation (Cativa process)

Methanol carbonylated with CO to acetic acid over the iridium-based Cativa catalyst (BP Chemicals), which runs at higher selectivity and lower water content than the older Monsanto rhodium process. The homogeneous catalyst itself isn't a flowing component in this model — only the carbonylation stoichiometry and downstream light-ends recovery are represented. Unreacted CO is flashed off and a column strips residual methanol from the acetic acid product.

Terephthalic acid plant, Map Ta Phut, Thailand

Dilute acetic acid recovery by extractive distillation

Recovering acetic acid from a dilute aqueous stream (e.g. cellulose acetate or terephthalic acid plant wastewater) using diisobutyl ketone (DIBK) as an extractive entrainer. Because acetic acid and water form no azeotrope but have a relative volatility that flattens toward 1 as the mixture concentrates, straight distillation needs an impractically tall column and heavy reboil duty; the entrainer raises water's relative volatility so the extractive column takes water overhead in far fewer stages, and a second column then strips the entrainer from the acid bottoms for recycle. Modeled with NRTL, and the property method is the whole point here rather than a detail: an entrainer works by changing liquid non-ideality, and a cubic equation of state with van der Waals mixing has no term for it — no binary interaction parameter ships for acetic-acid/water or DIBK/water, so Peng-Robinson runs this flowsheet at kij = 0 and represents none of the effect the column depends on. It does not converge either. NRTL carries the DECHEMA-fitted acetic-acid/water binary and reaches the DIBK pairs through UNIFAC.

Cortez Pipeline, West Texas, USA

Dense-phase CO₂ pipeline transport

Supercritical/dense-phase CO₂ loses pressure to pipe friction over a 150 km trunk-line run, gets restored by an intermediate pump station (the fluid stays liquid-like above its critical pressure, so this is a pump — not a compressor), then runs a second 150 km segment — the CCUS transport leg between capture and injection.

Mont Belvieu, Texas, USA

Ethane steam cracker

A simplified thermal-cracking train: an equilibrium reactor converts ethane to ethylene + H₂ at furnace conditions (1100 K), then a quench, compression, and a cold flash strip the H₂ tail gas before a C₂ splitter separates ethylene product from unconverted ethane. An equilibrium reactor is used here rather than the kinetic reactor because the latter's concentration term always uses a liquid-phase density (a real gap for a vapor-phase reaction at 1100 K) — noted, not fixed, out of scope for this example. The C₂ splitter needs many stages and high reflux since ethylene/ethane relative volatility is modest. From the ChemSep casebook (ethane cracker).

Terephthalic-acid / cellulose-acetate plant, Map Ta Phut, Thailand

Acetic acid recovery — NRTL with vapor-phase dimerization

Concentrating dilute aqueous acetic acid (30 mol%) by distillation, modeled with the NRTL activity package and chemical-theory vapor-phase association (acetic acid dimerizes, 2 A → A2, in the vapor). This is the physics a cubic equation of state gets wrong: the pinned NRTL acetic-acid/water binary (DECHEMA) plus the cited dimerization constants (Nagy et al., Molecules 2020) give the real bubble curve and latent heat, so the close-boiling acid/water pair actually separates and converges where Peng-Robinson does not.

Steam cracker complex, e.g. Linde-licensed olefins plants

Naphtha steam cracker: furnace, quench, compression, cryo train

The full ethylene-plant process shape (steam-methane-cracking's headline technology, e.g. Linde's steam cracking line): a fired-heater convection preheat, a three-reactor lumped pyrolysis furnace, a transfer-line-exchanger quench, a primary fractionator pulling off pyrolysis gasoline, two-stage compression with interstage knockouts, selective acetylene hydrogenation, and a cryogenic cold train (cold-flash light-gas rejection, deethanizer, C₂ splitter, depropanizer) delivering four real products — ethylene, propylene, a butadiene-rich C₄ cut, and a pygas/heavy-ends byproduct — plus an H₂/CH₄-rich tail gas and two knockout condensate streams.

Stop fighting legacy software. Build your first flowsheet in 60 seconds.