基于拟合的电化学寻峰算法的研究与实现

发布时间：2018-06-22 09:07

本文选题：电化学 + 拟合　；参考：《东北师范大学》2017年硕士论文

【摘要】：电化学是研究两类导体形成的带电界面及其上所发生的变化的科学。如今已形成了合成电化学、量子电化学、半导体电化学、有机导体电化学、光谱电化学、生物电化学等多个分支。电化学在化工、航空、航天、轻工、仪表、冶金、机械、电子、医学、材料、能源、金属腐蚀与防护、环境科学等科技领域获得了广泛的应用。当前世界上十分关注的研究课题,如能源、材料、环境保护、生命科学等等都与电化学以各种各样的方式关联在一起。循环伏安法是一种常用的电化学研究方法。该法控制电极电势以不同的速率,随时间以三角波形一次或多次反复扫描,使的电极上能交替发生不同的还原和氧化反应,并记录电流-电势曲线。根据曲线形状可以判断电极反应的可逆程度,中间体、相界吸附或新相形成的可能性,以及偶联化学反应的性质等。常用来测量电极反应参数,判断其控制步骤和反应机理,并观察整个电势扫描范围内可发生哪些反应及其性质如何。对于一个新的电化学体系,首选的研究方法往往就是循环伏安法,称之为“电化学的谱图”。本文在电化学循环伏安法测得的数据进行寻峰工作过程中,提出了一种采用基于最小二乘算法拟合实验数据来确定基线及峰高的方法。通过分析数据特征结合分部分拟合测试,确定出以高斯函数与三次函数的复合函数对实验数据I-E(电流-电势)进行拟合的方法。根据使用LM算法拟合结果得到的多项式部分确定基线并进一步确定峰高。用该方法对伏安法得到的单峰数据进行处理,结果良好,并最终应用于电化学工作站的开发之中。
[Abstract]:Electrochemistry is the science of studying the charged interface formed by two kinds of conductors and the changes on them. At present, synthetic electrochemistry, quantum electrochemistry, semiconductor electrochemistry, organic conductor electrochemistry, spectroelectrochemistry, biochemistry and many other branches have been formed. Electrochemistry has been widely used in chemical, aerospace, light industry, instrumentation, metallurgy, machinery, electronics, medicine, materials, energy, metal corrosion and protection, environmental science and other fields. The current research topics, such as energy, materials, environmental protection, life sciences and so on, are closely related to electrochemistry in various ways. Cyclic voltammetry is a common electrochemical method. By controlling the electrode potential at different rates and scanning with triangular waveform once or more over time, different reduction and oxidation reactions occur alternately on the electrode, and the current-potential curves are recorded. According to the curve shape, the reversible degree of electrode reaction, the intermediate, the possibility of phase boundary adsorption or the formation of new phase, and the properties of coupling reaction can be judged. It is often used to measure the electrode reaction parameters, determine the control steps and reaction mechanism, and observe which reactions and their properties can occur in the whole range of potential scanning. For a new electrochemical system, the preferred method is cyclic voltammetry, which is called "electrochemical spectrogram". In this paper, a method based on the least square algorithm to fit the experimental data to determine the baseline and peak height is proposed in the course of peak searching from the data measured by electrochemical cyclic voltammetry. By analyzing the characteristics of the experimental data and combining the partial fitting test, the method of fitting the experimental data I-E (current-potential) with the compound function of Gao Si function and cubic function is determined. The base line is determined and the peak height is further determined according to the polynomial part obtained by the fitting result of LM algorithm. The single peak data obtained by voltammetry are processed by this method, and the results are satisfactory. Finally, the method is applied to the development of electrochemical workstation.
【学位授予单位】：东北师范大学
【学位级别】：硕士
【学位授予年份】：2017
【分类号】：O646

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