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基于拟蒙特卡罗方法的油混合物成分含量测定研究

[Study of Determination of Oil Mixture Components Content Based on Quasi-Monte Carlo Method].

作者信息

Wang Yu-tian, Xu Jing, Liu Xiao-fei, Chen Meng-han, Wang Shi-tao

出版信息

Guang Pu Xue Yu Guang Pu Fen Xi. 2015 May;35(5):1312-5.

PMID:26415451
Abstract

Gasoline, kerosene, diesel is processed by crude oil with different distillation range. The boiling range of gasoline is 35 205 °C. The boiling range of kerosene is 140250 °C. And the boiling range of diesel is 180~370 °C. At the same time, the carbon chain length of differentmineral oil is different. The carbon chain-length of gasoline is within the scope of C7 to C11. The carbon chain length of kerosene is within the scope of C12 to C15. And the carbon chain length of diesel is within the scope of C15 to C18. The recognition and quantitative measurement of three kinds of mineral oil is based on different fluorescence spectrum formed in their different carbon number distribution characteristics. Mineral oil pollution occurs frequently, so monitoring mineral oil content in the ocean is very important. A new method of components content determination of spectra overlapping mineral oil mixture is proposed, with calculation of characteristic peak power integrationof three-dimensional fluorescence spectrum by using Quasi-Monte Carlo Method, combined with optimal algorithm solving optimum number of characteristic peak and range of integral region, solving nonlinear equations by using BFGS(a rank to two update method named after its inventor surname first letter, Boyden, Fletcher, Goldfarb and Shanno) method. Peak power accumulation of determined points in selected area is sensitive to small changes of fluorescence spectral line, so the measurement of small changes of component content is sensitive. At the same time, compared with the single point measurement, measurement sensitivity is improved by the decrease influence of random error due to the selection of points. Three-dimensional fluorescence spectra and fluorescence contour spectra of single mineral oil and the mixture are measured by taking kerosene, diesel and gasoline as research objects, with a single mineral oil regarded whole, not considered each mineral oil components. Six characteristic peaks are selected for characteristic peak power integration to determine components content of mineral oil mixture of gasoline, kerosene and diesel by optimal algorithm. Compared with single point measurement of peak method and mean method, measurement sensitivity is improved about 50 times. The implementation of high precision measurement of mixture components content of gasoline, kerosene and diesel provides a practical algorithm for components content direct determination of spectra overlapping mixture without chemical separation.

摘要

汽油、煤油、柴油是由原油经过不同蒸馏范围加工而成的。汽油的沸点范围是35205℃。煤油的沸点范围是140250℃。柴油的沸点范围是180~370℃。同时,不同矿物油的碳链长度不同。汽油的碳链长度在C7至C11范围内。煤油的碳链长度在C12至C15范围内。柴油的碳链长度在C15至C18范围内。对这三种矿物油的识别和定量测量是基于它们不同的碳数分布特征所形成的不同荧光光谱。矿物油污染频繁发生,因此监测海洋中的矿物油含量非常重要。提出了一种光谱重叠矿物油混合物成分含量测定的新方法,利用拟蒙特卡罗方法计算三维荧光光谱的特征峰功率积分,结合优化算法求解特征峰的最佳数量和积分区域范围,采用BFGS(以其发明者姓氏首字母Boyden、Fletcher、Goldfarb和Shanno命名的秩二更新方法)方法求解非线性方程。选定区域内测定点的峰值功率积累对荧光光谱线的微小变化敏感,因此成分含量的微小变化测量也很敏感。同时,与单点测量相比,由于点的选择减少了随机误差的影响,测量灵敏度得到提高。以煤油、柴油和汽油为研究对象,测量了单一矿物油及其混合物的三维荧光光谱和荧光等高线光谱,将单一矿物油视为一个整体,未考虑每种矿物油的成分。选择六个特征峰进行特征峰功率积分,通过优化算法确定汽油、煤油和柴油矿物油混合物的成分含量。与峰值法和均值法的单点测量相比,测量灵敏度提高了约50倍。汽油、煤油和柴油混合物成分含量的高精度测量的实现,为无需化学分离直接测定光谱重叠混合物的成分含量提供了一种实用算法。

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