Origin软件在原子吸收光谱标准曲线非线性拟合中的应用  

Nonlinear fitting of calibration curves in atomic absorption spectrometry using Origin software

作　　者：张颖[1] 黄文耀[1] 吴梦溪[1] 陈颖[1] 王华明[1] 

机构地区：[1]湖北省疾病预防控制中心卫生检验检测研究所应用毒理湖北省重点实验室,湖北武汉430079

出　　处：《计算机与应用化学》2016年第12期1289-1294,共6页Computers and Applied Chemistry

基　　金：湖北省卫生和计划生育委员会疾控及医药院校科研专项(WJ2016-20)

摘　　要：原子吸收光谱分析中标准曲线的弯曲是导致数据处理误差的主要原因。本工作利用Origin软件自定义函数功能进行原子吸收光谱标准曲线非线性拟合研究。以Cu^(2+)标准溶液为模型,系统比较了二次、三次、分式、Limbek、LiuYH、Barnett和Lwin等7种非线性拟合方程在不同浓度范围内的拟合准确度,并考察了各方程对12种金属元素标准曲线的通用性。结果显示,非线性拟合可显著提高原子吸收光谱标准曲线拟合的准确度。三次方程用于弯曲严重的标准曲线具有最高的准确度,而Barnett和Limbek方程对于轻度弯曲的标准曲线具有较好的准确度和通用性。本工作为原子吸收光谱分析合适标准曲线拟合方法的选择,以拓展分析范围、提高分析准确度提供了依据。The bending of calibration curves is the major error source of data processing in the atomic absorption spectrum （AAS） analysis. In this work, nonlinear fitting methods for the calibration curves were investigated using the user-defined nonlinear fitting function of Origin software. The precision of different nonlinear fitting equations （quadratic, cubic, fraction, Limbek, LiuYH, Barnett and Lwin） were compared using Cu2＋ standard solutions as the model. The versatility of each method was also evaluated using 12 dif- ferent metal ions standard solutions. The results indicated that the nonlinear fitting equations could significantly improve the precision of calibration curve fitting results. The cubic fitting equation exhibited highest accuracy for the severely bended calibration curve. While the Barnett and Limbek equations showed good accuracy and best versatility for various metal ions with slightly bended calibration curves. This study provides experimental bases for the selection of calibration curve fitting methods, in order to extend the concentration range and improve the accuracy of atomic absorption spectrometry analysis.

关 键 词：原子吸收光谱 标准曲线 非线性拟合 数据处理 ORIGIN软件 

分 类 号：TQ015.9[化学工程] TP391.9[自动化与计算机技术—计算机应用技术]