How to simulate lohc hydrogen release (methylcyclohexane dehydrogenation)
A liquid organic hydrogen carrier (LOHC) power train: methylcyclohexane (MCH) is preheated and catalytically dehydrogenated (MCH → toluene + 3H2, endothermic, equilibrium-limited to ~90% single-pass conversion) to release hydrogen for downstream power generation. A flash drum separates the H₂-rich gas from the liquid; a distillation column then recovers the unreacted MCH overhead and recycles it to the reactor feed, closing a real tight liquid recycle loop, while spent toluene leaves the bottoms (to be re-hydrogenated back to MCH off-site, closing the supply-chain loop — out of scope for this dehydrogenation-side flowsheet). Screening-fidelity note: MCH and toluene are genuinely close-boiling (relative volatility ~1.4 under this thermo package at column conditions), so the recycle carries real toluene along with the recovered MCH rather than a sharp cut — a production column would use more stages to purify it further; this shows the recycle topology and its convergence, not an optimized column design.
- 1Open the ready-made model
Open the "LOHC hydrogen release (methylcyclohexane dehydrogenation)" 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 methylcyclohexane, toluene, h2 — already selected, so the phase equilibrium and enthalpy are physically consistent from the first run.
- 3Review the flowsheet
The flowsheet chains MIX, Preheater, Dehydro Reactor, GAS LIQ SEP, Toluene Column. 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
- methylcyclohexane, toluene, h2
- Unit operations
- MIXPreheaterDehydro ReactorGAS LIQ SEPToluene Column
Opens live on the canvas — free, no install.
Explore the model & flowsheetFrequently asked questions
- What does the LOHC hydrogen release (methylcyclohexane dehydrogenation) model simulate?
- A liquid organic hydrogen carrier (LOHC) power train: methylcyclohexane (MCH) is preheated and catalytically dehydrogenated (MCH → toluene + 3H2, endothermic, equilibrium-limited to ~90% single-pass conversion) to release hydrogen for downstream power generation. A flash drum separates the H₂-rich gas from the liquid; a distillation column then recovers the unreacted MCH overhead and recycles it to the reactor feed, closing a real tight liquid recycle loop, while spent toluene leaves the bottoms (to be re-hydrogenated back to MCH off-site, closing the supply-chain loop — out of scope for this dehydrogenation-side flowsheet). Screening-fidelity note: MCH and toluene are genuinely close-boiling (relative volatility ~1.4 under this thermo package at column conditions), so the recycle carries real toluene along with the recovered MCH rather than a sharp cut — a production column would use more stages to purify it further; this shows the recycle topology and its convergence, not an optimized column design.
- Which thermodynamic method does it use?
- The PENG-ROBINSON property package, over methylcyclohexane, toluene, h2 — already selected. You can switch the method on the canvas before running.
- Which unit operations are in the flowsheet?
- It chains MIX, Preheater, Dehydro Reactor, GAS LIQ SEP, Toluene Column. 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. LOHC hydrogen release (methylcyclohexane dehydrogenation) 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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