Acetone–water distillation — a NRTL process flowsheet
A 12-stage column recovers acetone overhead from a dilute aqueous solvent-recovery feed — a common industrial acetone/solvent-recycling duty.
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- Rigorous NRTL thermodynamics, solved by the same engine every simulation runs on.
- 1 unit operations modeled: COL.
- Focus areas: Distillation, Solvent recovery, NRTL VLE.
- Thermodynamics
- NRTL
- Components
- acetone, water
- Unit operations
- COL
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Read the step-by-step guideReproduce 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("acetone-water-distillation")
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
Ethanol–water distillation
An 8-stage column concentrating ethanol overhead toward the azeotrope (the headline demo).
Tray efficiency — real trays vs ideal stages
The same ethanol–water column solved with a Murphree vapor tray efficiency of 0.7 instead of ideal equilibrium stages. A real sieve/valve tray never reaches full vapor-liquid equilibrium — the vapor leaving it only partly approaches the equilibrium composition with the tray liquid, mixing in un-equilibrated vapor from the tray below: y = E·K·x + (1−E)·y_below (Murphree 1925). At E = 0.7 each of these 12 trays does 70% of an ideal stage's work, so the overhead ethanol is lower than an equilibrium column of the same tray count would predict — which is exactly why a real column needs more trays than a shortcut (ideal-stage) calculation says. Both HYSYS and Aspen RadFrac expose this per-tray efficiency; set murphree_efficiency back to 1.0 to recover the ideal-stage column. The efficiency auto-selects the component-flow Naphtali-Sandholm solver (the reduced-form solvers carry no explicit per-tray VLE row to apply an efficiency to).
Acetone-water column at 3 atm (PR + Wong-Sandler)
An acetone recovery column at 3 atm on Peng-Robinson with the Wong-Sandler mixing rule — the one Gᴱ rule that keeps the quadratic composition dependence of the second virial coefficient, so it stays thermodynamically consistent at high pressure. 20 mol% acetone feed, 14 stages, reflux 2, 25% distillate: 80 mol% acetone overhead and acetone-free water in the bottoms, 2.65 MW on the reboiler. The cut is set at 0.25 rather than the feed's exact acetone fraction of 0.20, which pinned the column on a razor edge (temperature residual 2e-3, balance 3%); at 0.25 it closes to zero. Bound: the rule is driven by the low-pressure acetone/water NRTL binary and, as records, NeqSim's Wong-Sandler kij is deliberately not wired in, so the second-virial cross term uses the van der Waals kij.
n-Hexane / 1-butanol column with no fitted binary (UNIFAC)
A binary the databank has no regressed NRTL parameters for, so the column runs on predictive original UNIFAC from the two molecules' groups alone: 50/50 n-hexane and 1-butanol, 20 stages, reflux 2, 45% distillate. UNIFAC predicts the minimum-boiling azeotrope at 97 mol% hexane and 341.7 K, and the column lands its distillate exactly there (96.7%) with an 88% butanol bottoms — the azeotrope, not the stage count, is what caps the overhead purity, and that is a prediction from group contributions with no data on this pair behind it. Read it as a screening result: original UNIFAC's mean error against fitted binaries in this tree is 0.08 in ln gamma, and an alkane/alcohol pair is in its well-behaved range.
Toluene removal from 1-butanol solvent (modified UNIFAC, Dortmund)
A recovered 1-butanol solvent contaminated with 5 mol% toluene, redistilled to send the toluene overhead: 24 stages, reflux 3, an 8% distillate. There is no fitted toluene/1-butanol binary, so this runs on modified UNIFAC (Dortmund) — the variant that cuts infinite-dilution error from 42% to 16% in this tree, and a dilute contaminant in a solvent is exactly the infinite-dilution regime. The toluene/butanol azeotrope at 68 mol% toluene caps the overhead: it comes out at 39% toluene rather than pure, with 2.1% left in the bottoms — 62% of the contaminant removed per pass. The two variants agree on the azeotrope (67.6% against original UNIFAC's 67.7%) and differ where the toluene is dilute: original UNIFAC removes 67% on the same column, so the model choice is worth five points of recovery here.
Distillation column startup dynamics (feed-rate step)
An 8-stage ethanol-water column at a reduced startup feed rate. Solves the steady state normally; switch to the Dynamic solve mode with weir/level-controlled hydraulics enabled and step the feed rate up (e.g. 6 → 9 mol/s) to watch the bottoms draw genuinely rebalance to the new throughput as the tray inventories fill — a feed-rate disturbance no fixed-hydraulics dynamic model (incl. this same column's own default rigorous mode) can show at all. Honest bound: the vapor traffic is held at its steady-state value in this mode, so the distillate draw (condenser-level-controlled off vapor inflow) does not move for a feed-rate-only step — only the liquid/bottoms side responds.