化学研究与应用
化學研究與應用
화학연구여응용
CHEMICAL RESEARCH AND APPLICATION
2014年
12期
1846-1851
,共6页
陈纪文%陈满英%陈侣平%沈宏林%冯艳%黎军
陳紀文%陳滿英%陳侶平%瀋宏林%馮豔%黎軍
진기문%진만영%진려평%침굉림%풍염%려군
近红外光谱( NIR)%偏最小二乘法( PLS)%稀释剂%苯系物
近紅外光譜( NIR)%偏最小二乘法( PLS)%稀釋劑%苯繫物
근홍외광보( NIR)%편최소이승법( PLS)%희석제%분계물
near-infrared spectrum( NIR)%Partial least square( PLS)%Paint thinner%benzene homologue
建立使用近红外光谱法( NIR)快速测定溶剂型木器涂料稀释剂中甲苯、乙苯、对二甲苯、间二甲苯和邻二甲苯等苯系物含量方法。收集涂料稀释剂样品,使用气相色谱法( GC)测定苯系物含量,并采集其近红外光谱信息,采用偏最小二乘法( PLS )建立NIR光谱与苯系物含量的线性关系模型。苯系物校正均方差( RM-SEC)在(0.47~1.40)%之间、相关系数(R2)在0.956~0.988之间;预测均方差(RMSEP)在(0.73~2.32)%之间、相关系数( R2)在0.951~0.986之间。 NIR模型预测效果良好,定量方法快速、简单、准确,可在检测涂料的有毒有害物质中推广应用。
建立使用近紅外光譜法( NIR)快速測定溶劑型木器塗料稀釋劑中甲苯、乙苯、對二甲苯、間二甲苯和鄰二甲苯等苯繫物含量方法。收集塗料稀釋劑樣品,使用氣相色譜法( GC)測定苯繫物含量,併採集其近紅外光譜信息,採用偏最小二乘法( PLS )建立NIR光譜與苯繫物含量的線性關繫模型。苯繫物校正均方差( RM-SEC)在(0.47~1.40)%之間、相關繫數(R2)在0.956~0.988之間;預測均方差(RMSEP)在(0.73~2.32)%之間、相關繫數( R2)在0.951~0.986之間。 NIR模型預測效果良好,定量方法快速、簡單、準確,可在檢測塗料的有毒有害物質中推廣應用。
건립사용근홍외광보법( NIR)쾌속측정용제형목기도료희석제중갑분、을분、대이갑분、간이갑분화린이갑분등분계물함량방법。수집도료희석제양품,사용기상색보법( GC)측정분계물함량,병채집기근홍외광보신식,채용편최소이승법( PLS )건립NIR광보여분계물함량적선성관계모형。분계물교정균방차( RM-SEC)재(0.47~1.40)%지간、상관계수(R2)재0.956~0.988지간;예측균방차(RMSEP)재(0.73~2.32)%지간、상관계수( R2)재0.951~0.986지간。 NIR모형예측효과량호,정량방법쾌속、간단、준학,가재검측도료적유독유해물질중추엄응용。
Near-infrared( NIR) spectrum was applied for the rapid quantitative determination of benzene homologues( toluene,ethyl-benzene,p-xylene, m-xylene and o-xylene) in paint thinner of solvent based coatings for woodenware. After samples of paint thinner were collected,firstly gas chromatography( GC) was used to detect content of benzene homologues;secondly their NIR spectra were collected;finally partial least square( PLS) was used to develop a linear correlation between their NIR spectra and content of ben-zene homologues. Root mean square error of calibration(RMSEC)of benzene homologues were between(0. 47~1. 40)%,and their square of the correlation coefficient( R2 ) were between 0. 956~0. 988. Root mean square error of prediction( RMSEP) were between (0. 73~2. 32)%,and their square of the correlation coefficient(R2)were between 0. 951~0. 986. NIR model prediction effect was good. The NIR quantitative method was rapid,simple,accurate,and it could be applied in determination of toxic and harmful sub-stances in coatings.