HomeChemistry & MaterialsTransition State Theory — 2D Reaction-Coordinate Landscape

Transition State Theory — 2D Reaction-Coordinate Landscape

Interactive 2D companion to the transition-state-theory simulator: a real overdamped Langevin ensemble diffuses across a free-energy barrier whose height is set live by the Eyring equation, with the flux across the dividing surface and a scrolling population chart computed independently in two dimensions.

Chemistry & Materials2DAdvanced60 FPS📱 Mobile-adapted⇄ 3D version
2d-physical-chemistry ↗ Open standalone

This is the 2D counterpart to the 3D Eyring-equation simulator, computed independently rather than a flattened render of the 3D mesh. It draws the free-energy profile G(x) as a genuine side-on curve and integrates a real overdamped Langevin equation for every particle's reaction coordinate — the same stochastic-dynamics technique used in real molecular free-energy simulations — instead of a scripted per-particle success probability. The barrier height fed into that equation is exactly ΔG‡ = ΔH‡ − T·ΔS‡ from the sliders, so reshaping activation enthalpy, activation entropy or temperature reshapes the actual landscape every particle diffuses across. A scrolling strip beneath the landscape — a genuinely 2D-native view with no 3D equivalent — plots the reactant/product population split over time, while the reaction rate is measured directly as the net flux of particles crossing the dividing surface at the barrier top, the literal definition transition-state theory is built on.

⚙ Under the hood

Watch a real overdamped Langevin ensemble diffuse across a 2D free-energy barrier whose height is set live by the Eyring equation, with the reaction rate measured directly as flux across the dividing surface and a scrolling population-over-time chart.

physical chemistrykineticstransition state theoryEyring equationactivation energyLangevin dynamicsthermodynamics

2D · HTML5 Canvas 2D · 60 FPS target · runs fully client-side, no install

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