molecules 0

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timestep: mouse:
kinematics:
rendering mode: heatmap mode:

heatmap gain:

enable redox:
preset: elements for custom: A = , B =
page color: , text color:

controls: mouse/touch, buttons do what they say, mouse interaction is what the mouse does to atoms (note: zoom uses left/right), preset is how it generates, the custom presets allow you to use symbol, atomic number (Z), or name, not case-sensitive

This is a chemistry and basic molecular dynamics simulation, using lewis-dot bonding and CPK-like colors. Each pair of particles, like usual, is iterated over, but this time, reactions are based on chemistry. This means that even heat is emergent.

Each atom interacts with every other atom with the attractive component of the L-J potentioal. Repulsion is inverse-cube (for neumerical stability). If atoms are within their VdW radius, and if they can, they will bond (repersented by a line). Atoms can bond multiple times (the white line is more white) if they have enougth unpaired electrons.

It should be noted that there are some exceptions: carbon cannot quadruple bond, but it has 4 unpaired electrons. This, in real life, is because carbon bonds using 3 p orbitals and 1 s orbital, and the s orbital cannot bond... however, this simulation doesn' actually have orbitals. Also, each atom is rendered in 3 parts: the biggest is the Van-Deer-Walls radius, which is the default collision for the atoms and determines VdW attraction (allowing helium dimer), the 2nd largest/smallest one is the covalent radius which determines covalent bond lengths, and the smallest is just half the covalent radius so you can see bonds.

Another important behavior is redox: atoms will exchange electrons (redox reactions) if they are within VdW radius and have different enougth charge. However, this is exetremely buggy, and you have to enable it with a check for now.

Caveats: not all atoms are in here, the timescales are not calibrated yet at all (nor are actual bond strengths, IRL covalent is too strong). Also, covalent bonds here have a bit of stiffening time to avoid exploing H2. Importantly, redox reactions aren't perfect yet at all, because particles can attract into eachother. Also, this doesn't use quite LJ (as mentioned). Loner pairs aren't simulated (for now, so expect linear H2O). Most importantly, no molecular orbitals ever in this simulation (to avoid ionizing your PC), which does mean some molecules won't exist and/or won't have correct structure. In summery, if you plan to use this for teaching, use simple molecules, and perferrably stay away from redox.

Made by Catzcute4.

changelog:

format: fundamentalChange.newThing.tweak.bugfix