MaximaLabs

Acetic acid, the reaction with nothing left over

Methanol carbonylated with CO over the iridium-based Cativa catalyst, the unreacted CO flashed off and the product purified.

Methanol carbonylation, atom-balancedRigorous MESH purification columnThe iridium Cativa route, not the older rhodium one
Methanol
Carbon monoxide
Reactor feed mix
Carbonylation reactor
Flash
CO vent
Purification column
Methanol recycle
Acetic acid

The actual dark-mode canvas: methanol and carbon monoxide carbonylated to acetic acid, the unreacted CO flashed off, and the product purified with methanol recovered overhead.

The reaction with nothing left over

Methanol carbonylation converts every atom of both feeds into product — there is no stoichiometric by-product, which is why the route displaced every alternative. Scope note: the homogeneous iridium catalyst is not a flowing component here; only the carbonylation stoichiometry is modelled.

CH3OH+COCH3COOH(100% atom economy)\mathrm{CH_3OH} + \mathrm{CO} \longrightarrow \mathrm{CH_3COOH} \quad \text{(100\% atom economy)}
Ln1+Vn+1+Fn=Ln+Vn(real MESH in the purification column)L_{n-1} + V_{n+1} + F_n = L_n + V_n \quad \text{(real MESH in the purification column)}
CO in the vent is CO that did not become product\text{CO in the vent is CO that did not become product}

Unit ops shipped for this vertical

Mixer

Combines multiple streams into one, closing the mass and energy balance.

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Fixed-conversion reactor

A specified per-pass conversion on a key component — the shortcut counterpart to the equilibrium and kinetic reactors.

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Flash drum

Single-stage vapor-liquid equilibrium split at a fixed temperature/pressure.

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Distillation column

Wang-Henke MESH column solver — the same rigorous solve at any scale.

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Live plant integration

Stream reactor pressure, CO vent rate and column overhead purity from the plant's OPC-UA server into this flowsheet's twin comparison — CO slipping to the vent instead of reacting is a yield loss the solved balance makes visible immediately.

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Try it yourself

  • Methanol carbonylation at 100% atom economy
  • Rigorous MESH purification with methanol recovered overhead
  • The iridium Cativa route, not the older rhodium one

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