How to simulate enzymatic biodiesel from high-ffa waste oil (lipase)
Immobilised-lipase (e.g. Novozym 435) production of FAME from a waste feedstock — used cooking oil / rendered fat carrying ~17 mol% free fatty acid. This is the feed slate a renewable-fuels producer actually buys, and it is exactly where the conventional alkali route breaks down: NaOH or methoxide saponifies free fatty acid into soap (the databank even carries sodium palmitate), which destroys yield and emulsifies the glycerol settling step, so a high-FFA feed needs an acid-esterification pretrain before it can be base-catalysed at all. A lipase does both reactions at once and at 40 C: it transesterifies the triglyceride to esters plus glycerol, and it *esterifies* the free fatty acid into more product rather than losing it to soap. Both reactions are carried explicitly here, so the FFA ends up as methyl palmitate instead of as a loss. The result: 97.9 wt% ester content (EN 14214 requires >= 96.5 wt%) with the free fatty acid taken down to under 0.1 mol% of the product, i.e. a low acid value, from a feed the alkali route could not process directly. Esterification also makes one mole of water per mole of FFA converted, which is why the vacuum flash takes methanol and water overhead together — water inhibits the enzyme and has to leave the loop.
- 1Open the ready-made model
Open the "Enzymatic biodiesel from high-FFA waste oil (lipase)" 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 PENG-ROBINSON property package over triolein_ooo, palmitic_acid, methanol, methyl_oleate, methyl_palmitate, glycerol, water — already selected, so the phase equilibrium and enthalpy are physically consistent from the first run.
- 3Review the flowsheet
The flowsheet chains 2× Lipase ES, MEOH Flash, Settler. 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
- PENG-ROBINSON
- Components
- triolein_ooo, palmitic_acid, methanol, methyl_oleate, methyl_palmitate, glycerol, water
- Unit operations
- 2× Lipase ESMEOH FlashSettler
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.
- 1As with the alkali example, the deliverable is the material balance; the energy balance is not, for the same reason (no ideal-gas Cp correlation for the triglyceride/ester records, and acentric factors far outside Peng-Robinson's fitted range), so every unit is temperature-specified. Two things this deliberately does not claim: the reactors are **specified-conversion** models standing in for an immobilised-lipase packed bed — no enzyme kinetics are solved, because lipase methanolysis follows ping-pong bi-bi kinetics with methanol inhibition, which the built in `enzymatic_reactor` (a single-substrate, pH-branching Michaelis-Menten CSTR) cannot express; and the recovered methanol/water overhead would need a methanol recovery column before recycle, which is out of scope here. The glycerol/ester split is a specified settling recovery rather than a rigorous liquid-liquid flash — now a modelling choice, not a data limit, since the unconverted triglyceride and the residual free fatty acid gained predictive-UNIFAC group decompositions alongside the methyl esters and glycerol.
Frequently asked questions
- What does the Enzymatic biodiesel from high-FFA waste oil (lipase) model simulate?
- Immobilised-lipase (e.g. Novozym 435) production of FAME from a waste feedstock — used cooking oil / rendered fat carrying ~17 mol% free fatty acid. This is the feed slate a renewable-fuels producer actually buys, and it is exactly where the conventional alkali route breaks down: NaOH or methoxide saponifies free fatty acid into soap (the databank even carries sodium palmitate), which destroys yield and emulsifies the glycerol settling step, so a high-FFA feed needs an acid-esterification pretrain before it can be base-catalysed at all. A lipase does both reactions at once and at 40 C: it transesterifies the triglyceride to esters plus glycerol, and it *esterifies* the free fatty acid into more product rather than losing it to soap. Both reactions are carried explicitly here, so the FFA ends up as methyl palmitate instead of as a loss. The result: 97.9 wt% ester content (EN 14214 requires >= 96.5 wt%) with the free fatty acid taken down to under 0.1 mol% of the product, i.e. a low acid value, from a feed the alkali route could not process directly. Esterification also makes one mole of water per mole of FFA converted, which is why the vacuum flash takes methanol and water overhead together — water inhibits the enzyme and has to leave the loop.
- Which thermodynamic method does it use?
- The PENG-ROBINSON property package, over triolein_ooo, palmitic_acid, methanol, methyl_oleate, methyl_palmitate, glycerol, water — already selected. You can switch the method on the canvas before running.
- Which unit operations are in the flowsheet?
- It chains 2× Lipase ES, MEOH Flash, Settler. 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. Enzymatic biodiesel from high-FFA waste oil (lipase) 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
Biodiesel: alkali-catalysed transesterification with methanol recovery
Continuous base-catalysed (NaOH/methoxide) transesterification of a refined vegetable oil to fatty acid methyl esters — the classic FAME biodiesel process. The oil is modeled as a 70/30 triolein/tripalmitin blend (the C₁₈:1 and C₁₆:0 triglycerides that dominate soy, canola and rendered-fat feedstocks); each is transesterified with methanol at a 6:1 molar ratio and 60 C in a two-reactor cascade at 97% conversion per stage, the standard industrial staging that drives the equilibrium toward the esters. Excess methanol is then vacuum-flashed overhead for recycle, and the wash/settling step splits the heavy glycerol phase from the ester product. The FAME product comes out at 96.9 wt% ester content — just over the EN 14214 minimum of 96.5 wt% — and the crude glycerin at ~85 wt% glycerol, typical of the crude co-product that goes on to a glycerin refining column.
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