醇類影響 BZ 反應的雙機制模型:酸度調變與中間體交互的實驗—模擬統合 A Dual-Mechanism Model for Alcohol Effects on the Belousov–Zhabotinsky Reaction: Integrating Experimental and Simulation Approaches on Acidity Modulation and Intermediate Interactions
This project investigates how alcohol molecules modulate the
oscillation period of the Belousov–Zhabotinsky (BZ) reaction. The classic
Oregonator model (dimensionless FKN scheme) was used to simulate
how changes in [H+] and [BrO3⁻] affect the oscillation period. We
recorded the redox color oscillations, measuring the period , amplitude,
and lifetime under each condition.
Results show that adding any alcohol shortens the oscillation period
relative to a water-only control. Under fixed condition, straight-chain
alcohols had a stronger effect than branched ones. Polyhydroxy alcohols
also significantly reduced T. At high alcohol concentrations or with bulky
branched alcohols, the oscillations were damped and eventually ceased.
Arrhenius plots were linear, yielding apparent activation energy (Ea).
The Ea values were lower when alcohols were present than in pure-water
controls.
These results support two concurrent mechanisms: (H1)
hydrogen-bonding by linear and polyol alcohols reduces free [H+] and
slows proton-involved steps; (H2) alcohols form hydrogen bonds or
complexes with bromine intermediates (HOBr, Br2), inhibiting the
autocatalytic cycle. Adding fresh malonic acid (the organic substrate) and
catalyst to spent mixtures reinitiated oscillations (with longer periods).