聚氯乙烯溶液浓度的拉曼光谱检测

黄正梁; 王靖岱; 蒋斌波; 阳永荣; 陈杰勋; 廖祖维

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

论文大纲

黄正梁 ^1,2,*王靖岱 ^1,2蒋斌波 ^1,2阳永荣 ^1,2陈杰勋 ^1,2廖祖维 ^1,2

作者单位

¹ 浙江大学化学工程国家重点实验室, 浙江杭州310027

² 浙江大学化学工程与生物工程学系, 浙江杭州310027

拉曼光谱聚氯乙烯偏最小二乘法内标法 Raman spectrum PVC PLS Internal standard method

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.

参考文献

[1] PAN Zu-ren, QIU Wen-bao, WANG Gui-heng(潘祖仁, 邱文豹, 王贵恒). Handbook of Plastic Industry PVC(塑料工业手册聚氯乙烯). Beijing: Chemical Industry Press(北京: 化学工业出版社), 1999. 1.

[2] LU Xi, LI Jin-hui, WENG Yun-xuan, et al(鲁玺, 李金惠, 翁云煊, 等). Techniques and Equipment for Environmental Pollution Control(环境污染治理技术与设备), 2002, 3(9): 46.

[3] Mersiowsky I. Progress in Polymer Science, 2002, 27(10): 2227.

[4] Wey M, Yu L, Jou S. Journal of Hazardous Materials, 1998, 60(3): 259.

[5] Scheirs J. Polymer Recycling. New York: John Wiley & Sons, 1998. 232.

[6] Leitner H, Crucifix P, Yernaux J M. Proc Int Symp Feedstock Recycl Plast, 2002, 2: 76.

[7] Schut J H. Plastics Technology, 2001, 47(8): 58.

[8] Scott A. Chemical Week, 2002, 164(10): 31.

[9] HANG Hai-feng, CHU Ju, YE Qin, et al(杭海峰, 储炬, 叶勤, 等). Journal of East China University of Science and Technology(Natural Science Edition)(华东理工大学学报·自然科学版), 2005, 31(4): 521.

[10] WANG Bin, WEI Zhi-qi, LI Xia(王斌, 魏志奇, 李霞). Chinese Journal of Analytical Chemistry(分析化学), 2005, 33(9): 164.

[11] YAO Xiao-gang, DAI Lian-kui, FANG Jun(姚肖刚, 戴连奎, 方骏). Control and Instruments in Chemical Industry(化工自动化及仪表), 2004, 31(2): 48.

[12] QIN Xu-song, DAI Lian-kui(覃旭松, 戴连奎). Control and Instruments in Chemical Industry(化工自动化及仪表), 2004, 31(5): 65.

[13] HAN Yan-zheng, DAI Lian-kui(韩言正, 戴连奎). Control and Instruments in Chemical Industry(化工自动化及仪表), 2005, 32(3): 68.

[14] LIU Wen-han, YANG Wei, WU Xiao-qiong, et al(刘文涵, 杨未, 吴小琼, 等). Chinese Journal of Analytical Chemistry(分析化学), 2007, 35(10): 1503.

[15] LIU Wen-han, YANG Wei, WU Xiao-qiong, et al(刘文涵, 杨未, 吴小琼, 等). Chinese Journal of Analytical Chemistry(分析化学), 2007, 35(3): 416.

[16] John R F, Kazuo N, Chris W B. Introductory Raman spectroscopy. The 2nd Edition. San Diego: Academic Press, 2003. 1.

[17] Richard L M. Raman Spectroscopy for Chemical Analysis. New York: Wiley-IEEE Press, 2000. 1.

[18] CHEN De-zhao(陈德钊). Multi-Variable Data Process(多元数据处理). Beijing: Chemical Industry Press(北京: 化学工业出版社), 1998. 190.

[19] LU Wan-zhen(陆婉珍). Modern Near Infrared Spectroscopic Techniques(现代近红外光谱分析技术). The 2nd Edition. Beijing: China Petrochemical Press(北京: 中国石化出版社), 2007. 33.

[20] CHU Xiao-li, YUAN Hong-fu, LU Wan-zhen(褚小立, 袁洪福, 陆婉珍). Progress in Chemistry(化学进展), 2004, 16(4): 528.

[21] Dean J A. Analytical Chemistry Handbook(分析化学手册). Beijing: Beijing World Publishing Corporation(北京: 世界图书出版公司), 1999, 6. 49.

[22] Robinson J W. Handbook of Spectroscopy, Volume Ⅱ. Cleveland: CRC Press, 1974. 107.

[23] MA Li-dun(马礼敦). Advanced Structural Analysis(高等结构分析). Shanghai: Fudan University Press(上海: 复旦大学出版社), 2002. 198.

[24] ZHU Gui-yun, YANG Jing-he(朱贵云, 杨景和). Laser Spectroscopy Analysis(激光光谱分析法). The 2nd Edition. Beijing: Science Press(北京: 科学出版社), 1989. 299.

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.

聚氯乙烯溶液浓度的拉曼光谱检测

关于本站 Cookie 的使用提示

全站搜索

聚氯乙烯溶液浓度的拉曼光谱检测

相关论文

相关资讯

关于本站 Cookie 的使用提示

全站搜索