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For Students · Molecular Dynamics

Molecular Dynamics for a distillation

Built for students learning it for a class or exam. See the concept move instead of memorizing formulas — and check your homework intuition. Simulate a distillation live below — adjust the inputs and watch it respond, right in your browser.

Molecular Dynamics StudioLive

Lennard-Jones · velocity-Verlet · periodic box

Controls

Speed1×

Atoms interact via a Lennard-Jones potential. Raise the temperature to melt the lattice.

Presets

Atoms

Target temperature

▶ Run in Python

Data Inspector

Atoms120

Temperature0.0

PotentialLennard-Jones

IntegratorVelocity-Verlet

Governing equation

V (r) = 4 ε [(\frac{σ}{r})^{12} - (\frac{σ}{r})^{6}], F = - \frac{d V}{d r} = m \overset{r}{¨} (N = 120, T = 0.0)

Reading this result: Near a target of 120, thermal energy rivals the Lennard-Jones well depth, so the 120-atom lattice loses its order and begins to flow — melting.

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Frequently asked questions

Is this good for students?: Yes — this version of "Molecular Dynamics for a distillation" is framed for students learning it for a class or exam. See the concept move instead of memorizing formulas — and check your homework intuition.
Do I need to install anything?: No. It runs in any modern browser, free, with no account required.