Chemistry Simulation Suite
Six interconnected simulators for surface science, kinetics, atomic orbitals, and thermodynamics. Open any tool, explore related physics, and jump between them without losing your parameters.
Powerful Simulators
FIM Tip Simulator
Advanced field ion microscopy simulator. Model hemisphere-on-cone tips for different lattices, compute local electric fields, generate stereographic projections and simulated micrographs.
CTK Simulator
Chemical Transient Kinetics simulator. Model gas switching experiments with a CSTR reactor, visualize MS signals, and explore 3D reactor flow with particle tracking.
Atomic Orbitals
Visualize atomic orbital shapes, sizes, and periodic trends in 3D. Point cloud and isosurface rendering modes with Clementi-Raimondi effective nuclear charges.
Acid-Base Titration
Simulate titration curves for 40+ acid-base couples including polyacids and polybases. Visualize equivalence points, buffer zones, and Henderson-Hasselbalch regions.
Miller Surface Viewer
Display crystallographic (hkl) facets for FCC, BCC, and HCP lattices. Interactive 3D visualization of Miller index planes cutting through crystal structures.
VdW Explorer
Explore Van der Waals real gas behavior. Plot P-V isotherms with Maxwell construction, binodal/spinodal curves, and 3D P-V-T hypersurfaces for 18 gases.
How Tools Connect
Each bridge carries scientific context. FIM poles match Miller planes; reactor gases map to real-gas VdW data; orbitals explain ionization fields on tips.
The crystal orientation set on the FIM tip defines which (hkl) facet is at the apex. Visualize that exact surface plane in the Miller Viewer.
The gases in this CTK reactor deviate from ideal behavior at reactor pressures. The VdW Explorer quantifies those deviations via the equation of state.
The FIM field-evaporation voltage depends directly on an element's ionization energy, which is set by the outermost orbital shown here.
The catalytic reactivity of a (hkl) facet is governed by the overlap between adsorbate orbitals and the d-orbital density of surface atoms.