光驱动钙离子振荡动力学实验研究与理论模拟

Experimental research and theoretical simulation on light-induced calcium ions oscillatory dynamics

BrO3–-SO32–-Fe(CN)64–(BSF)是典型的pH振荡体系,在连续流动搅拌反应器(CSTR)中呈现持续大振幅的pH振荡行为。该文将Ca2+-EDTA络合平衡反应耦合到BSF体系,引入光照作为控制参数,考察pH值周期变化对钙离子的浓度振荡的调控行为,体系表现出光抑制和光诱导钙离子振荡现象。为解释实验过程中的动力学行为,该文提出一个包含13步反应机理的理论模型,并采用BerkeleyMadonna软件对钙离子振荡进行了数值模拟,通过理论模拟进一步验证机理的合理性。非平衡态和化学振荡是现代化学热力学和动力学研究的前沿分支,有利于拓展学生学术视野,初步了解实验和数值模拟等现代化学研究方法。此外,实验涵盖化学反应器、化学平衡、电分析、化学反应动力学等多个知识点,不但有利于培养学生专业知识技能,还有助于提高学生的基本科研能力。

The BrO3–-SO32–-Fe(CN)64–(BSF) system is a typical p H oscillation system,which displays sustained large amplitude p H oscillations in the continuous stirred tank reactor (CSTR).In this paper,p H periodical variation induces the changes of calcium ions concentrations,through the coupling of the complex equilibrium reaction of Ca2+-EDTA with the p H oscillatory system.Meanwhile,by using the external light illumination as the control parameter,the reaction system can display the photoinhibition and photoinduction behaviors.The mechanism model containing 13-step reactions is proposed,which can successfully reproduce the experimental phenomena by using the Berkeley Madonna software,and further validate the rationality of the mechanism model.Furthermore,non-equilibrium and chemical oscillation are the frontier branches of modern chemical thermodynamics and dynamics research,which is conducive to expanding students’academic horizons and preliminarily understanding of the two modern chemical research methods of experiment and numerical simulation.In addition,the experiment covers many knowledge points,such as chemical reactor,chemical equilibrium,electrical analysis,chemical reaction dynamics,etc.,which not only helps to cultivate students’professional knowledge and skills,but also helps to improve students’basic scientific research ability.