A simple 2D agent-based approximate simulation of prebiotic chemistry using entropy-driven dynamics, valence rules, and VSEPR-inspired geometry. 4 atom tokens (CHON) representing atomic elements form dynamic bonds under duo-octet constraints, steric hindrance, and thermodynamic acceptance criteria, leading to emergent molecular structures.
Prereqs: numpy, pygame and imageio (for GIF export)
- 2D Restriction: VSEPR geometries (tetrahedral, trigonal pyramidal) are inherently 3D - the 2D projection is a simplification
- Simplified Thermodynamics:
- No explicit temperature parameter (β and α are fixed)
- Bond breaking doesn't fully account for thermal fluctuations
- Entropy calculation is compositional only (doesn't include configurational entropy)
- Physical Accuracy:
- Real bond lengths depend on electronegativity, orbital overlap, not just formation energy
- Missing electrostatic interactions, partial charges
- No quantum mechanical effects
- Scalability: Even with optimizations, O(N) per step limits practical token counts