光谱学与光谱分析, 2011, 31 (3): 704, 网络出版: 2011-08-16
聚氯乙烯溶液浓度的拉曼光谱检测
Quantitative Determination of PVC Concentration by Raman Spectrum
摘要
借助拉曼光谱, 对聚氯乙烯(PVC)-环己酮溶液的浓度进行了检测。 通过偏最小二乘法(PLS)分析发现, 第一项PLS成分(factor 1)的得分与PVC溶液浓度成正比关系, factor 1的载荷分布能有效地反映出溶液浓度与溶液中的PVC和环己酮含量的关系。 建立了PVC溶液浓度的PLS回归预测模型, 模型预测结果与真实值间的r值和均方根误差(RMSE)分别为0.996 3和2.775。 提取PVC和环己酮的拉曼特征峰, 包括PVC中的C—Cl键(620, 695 cm-1)和环己酮中的脂环族酮(1 709 cm-1), 通过特征峰内标法, 建立了PVC溶液浓度的预测模型, 预测值与真实值间的r和RMSE值分别为0.994 1和3.151。 研究表明, 拉曼光谱能够实现溶液中PVC浓度的快速、 准确的检测, 对优化PVC溶剂法回收工艺具有积极意义。
Abstract
Quantitative determination of polyvinyl chloride (PVC) concentration by Raman spectrum was studied in the present work. According to partial least squares (PLS) analysis, it was found that scores of PLS factor 1 were proportional to the concentrations of the sample solutions. Meanwhile, the loadings of factor 1 could reflect the contents of PVC and cyclohexanone simultaneously. The PLS regression model for PVC concentration prediction was built. The values of r and root mean square error(RMSE) between predictive results and actual values were 0.996 3 and 2.775, respectively. The Raman characteristic peaks of PVC and cyclohexanone were found, including the C—Cl bond for PVC (620 and 695 cm-1) and the alicyclic ketone for cyclohexanone (1 709 cm-1). By using internal standard method, another model for PVC concentration prediction was established, and the values of r and RMSE were 0.994 1 and 3.151, respectively. The results indicated that it is feasible to use Raman spectrum to detect the PVC concentration, which is of significant importance to PVC recycling.
黄正梁, 王靖岱, 蒋斌波, 阳永荣, 陈杰勋, 廖祖维. 聚氯乙烯溶液浓度的拉曼光谱检测[J]. 光谱学与光谱分析, 2011, 31(3): 704. HUANG Zheng-liang, WANG Jing-dai, JIANG Bin-bo, YANG Yong-rong, CHEN Jie-xun, LIAO Zu-wei. Quantitative Determination of PVC Concentration by Raman Spectrum[J]. Spectroscopy and Spectral Analysis, 2011, 31(3): 704.