How to simulate waste solvent recovery — extractive distillation (ipa/water)
A pharmaceutical waste isopropanol/water stream (near the ~68 mol% IPA azeotrope) is fed to an extractive column with a high-boiling entrainer feeding in a few stages above it; a second column strips the entrainer back out of the bottoms for reuse.
- 1Open the ready-made model
Open the "Waste solvent recovery — extractive distillation (IPA/water)" model in the MaximaLabs workspace — no install, no license. It loads live on the canvas, ready to edit and run.
- 2Confirm the thermodynamics
This process is modeled with the NRTL property package over isopropanol, water, sulfolane — already selected, so the phase equilibrium and enthalpy are physically consistent from the first run.
- 3Review the flowsheet
The flowsheet chains 2× Stripper. Every block is a real, solvable unit op you can reconfigure on the canvas.
- 4Run the simulation
Click Run. The deterministic solver converges the material and energy balances (recycles included) and fills the live stream table — the AI never invents a number.
- 5Read the results and iterate
Inspect the converged streams, tweak a spec, and re-run — or ask the AI copilot to explain a result or diagnose a failed solve in plain English.
- Thermodynamics
- NRTL
- Components
- isopropanol, water, sulfolane
- Unit operations
- 2× Stripper
Opens live on the canvas — free, no install.
Explore the model & flowsheetModeling assumptions & limitations
What this model captures, and what it deliberately does not — from the engineers who built it.
- 1The brief's original entrainer, DMSO, doesn't have a pinned NRTL isopropanol binary in MaximaLabs's databank (only DMSO-water is pinned), so this uses sulfolane instead — a real, industrially-standard extractive/physical solvent with a genuine pinned NRTL isopropanol binary. At this stage count and solvent-to-feed ratio the entrainer effect is real but modest (overhead reaches ~82 mol% IPA, up from the 68% feed) — a sharper, near-anhydrous cut would need more stages/reflux or a higher solvent ratio than what this session verified converges reliably.
Frequently asked questions
- What does the Waste solvent recovery — extractive distillation (IPA/water) model simulate?
- A pharmaceutical waste isopropanol/water stream (near the ~68 mol% IPA azeotrope) is fed to an extractive column with a high-boiling entrainer feeding in a few stages above it; a second column strips the entrainer back out of the bottoms for reuse.
- Which thermodynamic method does it use?
- The NRTL property package, over isopropanol, water, sulfolane — already selected. You can switch the method on the canvas before running.
- Which unit operations are in the flowsheet?
- It chains 2× Stripper. Every block is a real, solvable unit operation you can reconfigure, add to, or remove.
- Do I need to install software or buy a license?
- No. Waste solvent recovery — extractive distillation (IPA/water) runs entirely in your browser on MaximaLabs — free, no install, no license. Open the model to load it live and run the deterministic solver.
More guides like this
Anhydrous ethanol — extractive distillation past the azeotrope (NRTL)
Producing fuel-grade anhydrous ethanol from a near-azeotropic ethanol/water feed using ethylene glycol as the extractive entrainer. Ordinary distillation is capped at the 89.4 mol% ethanol azeotrope; the high-boiling glycol raises water's relative volatility so ethanol crosses its azeotrope and leaves the extractive column essentially pure, while a vacuum solvent-recovery column strips the water and recycles the glycol. This is modeled with the NRTL activity package on pinned DECHEMA binaries for every pair (ethanol/water, ethanol/glycol, water/glycol) — the non-ideal, azeotrope-crossing VLE a cubic equation of state structurally cannot reproduce (Peng-Robinson stays trapped at the ~89% azeotrope).
Extractive distillation (ethanol/water with ethylene glycol)
Near-azeotropic ethanol/water (85 mol% ethanol) can't be pushed past the 89 mol% azeotrope by ordinary distillation. A heavy, high-boiling entrainer (ethylene glycol) fed near the top of the column raises water's relative volatility enough to pull overhead ethanol past the azeotrope in one pass; a second column then strips water overhead from the glycol, regenerating it as the bottoms product. The classic extractive-distillation textbook case (Luyben, Ind. Eng. Chem. Res. 2006, 45, 4625).
Ethanol–water distillation
An 8-stage column concentrating ethanol overhead toward the azeotrope (the headline demo).
Pressure-swing ethanol dehydration (Gᴱ mixing rule)
Ethanol–water is the classic azeotrope, and pressure-swing distillation breaks it without an entrainer: the azeotrope moves with pressure, so a low-pressure column and a high-pressure column pass each other's azeotropic distillate and each recovers a pure product. The whole process only works if the property package tracks that shift — which is exactly where a conventional package choice falls between two chairs. This flowsheet runs the high-pressure column at 15 bar on pr-mhv1: Peng-Robinson with an MHV1 excess-Gibbs mixing rule, so the cubic equation of state gets its attraction parameter from NRTL's excess Gibbs energy instead of from a single binary interaction constant. Switch the thermo package (Solver menu) and compare the predicted azeotrope: | package | 1 atm | 15 bar | valid at 15 bar? | |---|---|---|---| | NRTL | 0.891 | 0.802 | no — γ-φ is a low-pressure formulation (~10 bar) | | Peng-Robinson (kij) | 0.586 | 0.613 | yes, but a kij cannot represent this azeotrope | | pr-mhv1 | 0.949 | 0.798 | yes | (mole fraction ethanol; the repo's DECHEMA-validated 1 atm anchor is 0.894.) At 15 bar pr-mhv1 lands within 0.005 of NRTL while remaining a genuine equation of state, whereas plain Peng-Robinson is off by ~0.19 and puts the azeotrope in the wrong place entirely. Selecting nrtl here also trips the applicability guard, which warns that the activity model is past its pressure ceiling and names the fix. The flowsheet demonstrates the mechanism on itself. Drop the column pressure to 1 atm and re-run, changing nothing else: the solve fails with SPEC_THERMODYNAMICALLY_IMPOSSIBLE, because at atmospheric pressure the requested bottoms purity sits beyond the azeotrope and no column can reach it. At 15 bar the same specification converges and the bottoms leaves at x_EtOH ≈ 0.924 — past the atmospheric azeotrope of 0.894, which is precisely the composition an atmospheric column cannot cross.
Acetone–water distillation
A 12-stage column recovers acetone overhead from a dilute aqueous solvent-recovery feed — a common industrial acetone/solvent-recycling duty.
Ethanol dehydration (pervaporation)
A hydrophilic pervaporation membrane pulls water out of near-azeotropic ethanol — crossing the 89 mol% ethanol-water azeotrope that ordinary distillation cannot. Permeate is ~95% water; the retentate is dried past the azeotrope.