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中文摘要：
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（620,695cm-1）和环己酮中的脂环族酮（1 709cm-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。
英文摘要：
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.
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