摘要
利用太赫兹时域光谱（THz-TDS）技术对食品添加剂丁基羟基茴香醚（BHA）及其与聚乙烯不同配比的混合物进行了检测，获得了其在0．2-2．6THz波段的吸收谱和折射率谱。实验结果表明：此波段内该样品有3个明显的吸收峰，分别位于0．64、1．14、1．81THz，该指纹谱可用于THz波段该物质的检测与识别。对BHA混合物的太赫兹光谱进行了最小二乘法分析，结果表明太赫兹吸收系数与BHA质量分数的相关系数大于0．98。用密度泛函理论对单分子丁基羟基茴香醚进行了数值计算，表明太赫兹吸收峰与分子构型和分子内部运动有关。
Food additives butyl hydroxy anisole （BHA） and its mixtures with polythene of different ratio are measured by using terahertz time domain spectroscopy （THz-TDS） technology, and the absorption spectrum and refractive index spectrum of 0.2-2.6 THz band are obtained. Experimental results show that there are three obvious absorption peaks of the sample in the band, which locates at 0.64, 1.14, 1.81 THz, respectively. The fingerprint spectrum can be used for the detection and identification of the substance in THz band. The terahertz spectra of BHA mixture are analyzed by the least squares method. Results show that the correlation coefficient between the terahertz absorption coefficient and mass fraction of BHA is larger than 0.98. The numerical calculation of single-molecule BHA is carried out with density functional theory. It is indicated that the terahertz absorption peaks have relationship with molecular conformation and molecular internal motion.
出处
《量子电子学报》
CAS
CSCD
北大核心
2016年第6期641-646,共6页
Chinese Journal of Quantum Electronics
基金
国家自然科学基金
(50971094
61171051)
北京市自然科学基金与北京市教委科技发展计划重点项目
(KZ201310028032)~~
关键词
光谱学
吸收谱
折射率谱
最小二乘法
密度泛函理论
spectroscopy
absorption spectra
refractive index spectra
least squares method
density functional theory
