How to simulate 2,6-xylenol from phenol methylation
Liquid-phase methylation of phenol with methanol at 250°C/150 bar over a selective ortho-methylation catalyst, per US Patent 3,707,569. At 50% single-pass phenol conversion the reported selectivity is 70% to o-cresol and 25% to 2,6-xylenol (the further-methylated product) — modeled here as two sequential fixed-conversion reactors (phenol → o-cresol, then o-cresol → 2,6-xylenol) approximating that split, followed by a distillation separating the light methanol/water from the phenolics. The five-component side-draw column sits in the same successive-substitution residual plateau documented for the light-ends-train and DME-synthesis examples — it returns a physically reasonable partial profile rather than a clean `converged` status.
- 1Open the ready-made model
Open the "2,6-Xylenol from phenol methylation" 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 phenol, methanol, o_cresol, 2_6_xylenol, water — already selected, so the phase equilibrium and enthalpy are physically consistent from the first run.
- 3Review the flowsheet
The flowsheet chains MIX, 2× Meth2, COL. 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
- phenol, methanol, o_cresol, 2_6_xylenol, water
- Unit operations
- MIX2× Meth2COL
Opens live on the canvas — free, no install.
Explore the model & flowsheetFrequently asked questions
- What does the 2,6-Xylenol from phenol methylation model simulate?
- Liquid-phase methylation of phenol with methanol at 250°C/150 bar over a selective ortho-methylation catalyst, per US Patent 3,707,569. At 50% single-pass phenol conversion the reported selectivity is 70% to o-cresol and 25% to 2,6-xylenol (the further-methylated product) — modeled here as two sequential fixed-conversion reactors (phenol → o-cresol, then o-cresol → 2,6-xylenol) approximating that split, followed by a distillation separating the light methanol/water from the phenolics. The five-component side-draw column sits in the same successive-substitution residual plateau documented for the light-ends-train and DME-synthesis examples — it returns a physically reasonable partial profile rather than a clean `converged` status.
- Which thermodynamic method does it use?
- The PENG-ROBINSON property package, over phenol, methanol, o_cresol, 2_6_xylenol, water — already selected. You can switch the method on the canvas before running.
- Which unit operations are in the flowsheet?
- It chains MIX, 2× Meth2, COL. 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. 2,6-Xylenol from phenol methylation runs entirely in your browser on MaximaLabs — free, no install, no license. Open the model to load it live and run the deterministic solver.
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