Physics
Water: dipoles and hydrogen bonds · 3D
48 polar molecules move and rotate in three dimensions. Explore hydrogen-bond indicators, thermal motion and alignment in an electric field.
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Red oxygen and white hydrogen form 48 rigid molecules. Change the field axis or reverse its direction. Cyan dashed lines mark geometric hydrogen-bond candidates; amber arrows show molecular dipoles.
Equations used in the module
Equations U = Σ qi qj/√(rij² + ε²) + 4εLJ[(σ/rOO)^12 − (σ/rOO)^6] τ = Σ (rsite − rO) × Fsite; Tkin = Σ m v²/(3 N kB) qO = −0.84; qH = +0.42; HOH = 104.5° 3D rigid rotors; normalized quaternions; Langevin thermostat Reduced units and isotropic rotor inertia; geometric bond indicators
