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用金红石二氧化钛标样R902和锐钛型二氧化钛标样PT120按不同比例混合成不同金红石含量的标样,用激光拉曼光谱采集标准二氧化钛样品的拉曼光谱,选择锐钛型的139.6cm处的特征峰和金红石型二氧化钛在439.93cm处的特征峰作为定量分析峰。然后使用TQ Analyst软件采用偏最小二乘法建立标准曲线,通过Spectrum outlier筛选光谱、Leverage筛选掉异常点并使用交叉试验验证后得到R2=0.996,均方根误差=0.205,预测均方根误差=0.335拟合度很高的标准工作曲线,最后使用二阶导数校正曲线后得到了可用于定量分析金红石含量的标准曲线。
Rutile titanium dioxide sample R902 and anatase titanium dioxide sample PT120 were mixed into samples with different rutile contents in different proportions. Raman spectra of standard titanium dioxide samples were collected by laser Raman spectroscopy. Characteristics of anatase type at 139.6 cm The characteristic peak at 439.93 cm of the peak and the rutile titanium dioxide was used as a quantitative analysis peak. Then, the standard curve was established by partial least square method using TQ Analyst software. The spectrum was filtered by Spectrum outlier. Leverage screened the abnormal points and verified by cross-validation. The results showed that R2 = 0.996, root mean square error = 0.205 and root mean square error of prediction = 0.335 Good standard fit curve, and finally using the second derivative calibration curve obtained the standard curve can be used for quantitative analysis of rutile content.