光谱学与光谱分析
光譜學與光譜分析
광보학여광보분석
SPECTROSCOPY AND SPECTRAL ANALYSIS
2014年
2期
542-547
,共6页
丛智博%孙兰香%辛勇%李洋%齐立峰%杨志家
叢智博%孫蘭香%辛勇%李洋%齊立峰%楊誌傢
총지박%손란향%신용%리양%제립봉%양지가
激光诱导击穿光谱%偏最小二乘法%微量元素%定量分析
激光誘導擊穿光譜%偏最小二乘法%微量元素%定量分析
격광유도격천광보%편최소이승법%미량원소%정량분석
Laser-induced breakdown spectroscopy (LIBS)%Partial least squares method (PLS)%Trace elements%Quantitative analysis
在炼钢中合金浓度的检测和控制对产品质量影响很大,激光诱导击穿光谱(laser induced break-down spectroscopy ,LIBS)技术具有快速、非接触、无需制样等特点,非常适合应用于合金成分的在线分析。但是由于合金中的C ,S ,P元素的成分含量都很低,其原子发射谱线极易淹没在复杂的铁元素特征谱线之中,造成这些重要元素在线定量分析困难。以合金钢标准光谱样品为研究对象,获取激光诱导击穿光谱数据,采用定标曲线法(calibration curve ,CC)和偏最小二乘法(partial least squares ,PLS),对合金钢样品的主量和微量元素进行定量分析。比较两种方法的定标结果得出:对于主量元素,PLS方法的定量分析水平优于传统的CC法;更重要的是对于微量元素,由于特征谱线极弱,CC法无法得出定量结果,而PLS法仍然具有良好的定量分析能力。同时,将PLS法回归模型特征谱线处的回归系数与原始有背景干扰的光谱强度数据进行比较,阐述了LIBS数据定量分析中PLS方法的优势。结果表明,在激光诱导击穿光谱合金成分分析中,PL S方法适合用于C等微量元素的定量分析。
在煉鋼中閤金濃度的檢測和控製對產品質量影響很大,激光誘導擊穿光譜(laser induced break-down spectroscopy ,LIBS)技術具有快速、非接觸、無需製樣等特點,非常適閤應用于閤金成分的在線分析。但是由于閤金中的C ,S ,P元素的成分含量都很低,其原子髮射譜線極易淹沒在複雜的鐵元素特徵譜線之中,造成這些重要元素在線定量分析睏難。以閤金鋼標準光譜樣品為研究對象,穫取激光誘導擊穿光譜數據,採用定標麯線法(calibration curve ,CC)和偏最小二乘法(partial least squares ,PLS),對閤金鋼樣品的主量和微量元素進行定量分析。比較兩種方法的定標結果得齣:對于主量元素,PLS方法的定量分析水平優于傳統的CC法;更重要的是對于微量元素,由于特徵譜線極弱,CC法無法得齣定量結果,而PLS法仍然具有良好的定量分析能力。同時,將PLS法迴歸模型特徵譜線處的迴歸繫數與原始有揹景榦擾的光譜彊度數據進行比較,闡述瞭LIBS數據定量分析中PLS方法的優勢。結果錶明,在激光誘導擊穿光譜閤金成分分析中,PL S方法適閤用于C等微量元素的定量分析。
재련강중합금농도적검측화공제대산품질량영향흔대,격광유도격천광보(laser induced break-down spectroscopy ,LIBS)기술구유쾌속、비접촉、무수제양등특점,비상괄합응용우합금성분적재선분석。단시유우합금중적C ,S ,P원소적성분함량도흔저,기원자발사보선겁역엄몰재복잡적철원소특정보선지중,조성저사중요원소재선정량분석곤난。이합금강표준광보양품위연구대상,획취격광유도격천광보수거,채용정표곡선법(calibration curve ,CC)화편최소이승법(partial least squares ,PLS),대합금강양품적주량화미량원소진행정량분석。비교량충방법적정표결과득출:대우주량원소,PLS방법적정량분석수평우우전통적CC법;경중요적시대우미량원소,유우특정보선겁약,CC법무법득출정량결과,이PLS법잉연구유량호적정량분석능력。동시,장PLS법회귀모형특정보선처적회귀계수여원시유배경간우적광보강도수거진행비교,천술료LIBS수거정량분석중PLS방법적우세。결과표명,재격광유도격천광보합금성분분석중,PL S방법괄합용우C등미량원소적정량분석。
In the present paper both the partial least squares (PLS) method and the calibration curve (CC) method are used to quantitatively analyze the laser induced breakdown spectroscopy data obtained from the standard alloy steel samples .Both the major and trace elements were quantitatively analyzed .By comparing the results of two different calibration methods some useful results were obtained :for major elements ,the PLS method is better than the CC method in quantitative analysis ;more impor-tantly ,for the trace elements ,the CC method can not give the quantitative results due to the extremely weak characteristic spec-tral lines ,but the PLS method still has a good ability of quantitative analysis .And the regression coefficient of PLS method is compared with the original spectral data with background interference to explain the advantage of the PLS method in the LIBS quantitative analysis .Results proved that the PLS method used in laser induced breakdown spectroscopy is suitable for quantita-tive analysis of trace elements such as C in the metallurgical industry .