Numerical Investigation of Photochemical Behavior in Bromate-1,4-Cyclohexanedione Reactions

作者：Li, Nan; Zhang, Yunhong; Wang, Jichang^*

来源：Journal of Physical Chemistry A, 2009, 113(5): 833-838.

DOI：10.1021/jp808093y

• 1,4-CYCLOHEXANEDIONE-BROMATE-ACID OSCILLATORY SYSTEM
• VISIBLE-LIGHT
• DYNAMICS
• BROMATE
• RESONANCE
• PATTERNS
• WAVES
• MODULATION
• MECHANISM
• MODEL

In this study, photocontrolled reaction behaviors in the uncatalyzed and catalyzed bromate-1,4-cyclohexanedione (bromate-CHD) oscillators were investigated numerically. The simulation was performed with two existing models modified to include a photoreaction step denoting the photoreduction of 1,4-benzoquinone in aqueous solution. The reproduced phenomena include photoinduced and photoquenched chemical oscillations. The scene that light with a moderate intensity favors while strong illumination quenches these spontaneous oscillations is also achieved in the simulation. The modified model also illustrates that, as the reaction evolves in time, the influence of light transforms from inhibitory to constructive. The remarkable agreement between simulation and experiment strongly suggests that 1,4-benzoquinone plays a key role in the photoreaction dynamics of the studied systems.

• 出版日期2009-2-5
• 单位北京理工大学