CAJ | 학술논문

应用拉曼光谱法测定了芳烃物料的馏程.采用芳烃样品60个,其中50个为校正样品集,10个为预测样品集,在拉曼光谱位移为400 ～1 800 cm~(-1)范围内进行光谱预处理,并应用偏最小二乘回归法(PLS)建立了各馏程的校正模型,其相关系数(r~2)分别为0.87、 0.89、0.98、0.97、0.94、0.89、0.88(相应蒸馏回收百分数分别为5%、10%、30%、50%、70%、90%、95%).在置信水平99.5%,α为0.005时,各馏程t值均小于3.69(临界值),表明拉曼光谱法预测结果与常压蒸馏法的测定结果无显著性差别.采用拉曼光谱技术可以快速测定芳烃物料的馏程.
응용랍만광보법측정료방경물료적류정.채용방경양품60개,기중50개위교정양품집,10개위예측양품집,재랍만광보위이위400 ～1 800 cm~(-1)범위내진행광보예처리,병응용편최소이승회귀법(PLS)건립료각류정적교정모형,기상관계수(r~2)분별위0.87、 0.89、0.98、0.97、0.94、0.89、0.88(상응증류회수백분수분별위5%、10%、30%、50%、70%、90%、95%).재치신수평99.5%,α위0.005시,각류정t치균소우3.69(림계치),표명랍만광보법예측결과여상압증류법적측정결과무현저성차별.채용랍만광보기술가이쾌속측정방경물료적류정.
The distillation range of aromatic materials was determined by Raman spectroscopic method.The total experimental samples were 60 aromatic materials,including a calibration set of 50 aromatic materials and a validation set of 10 aromatic materials.PLS calibration models for each percent recovery temperature have been developed by using Raman spectra in the range of 400-1 800 cm~(-1) processed by seven point Savitzky-Golay smoothing and five point Savitzky-Golay first derivative.The determination coefficient(r~2) were 0.87,0.89,0.98,0.97,0.94,0.89,0.88(distillation recovery of the corresponding percentages were 5%,10%,30%,50%,70%,90%,95%).In a significant level of 99.5%,α=0.005,t values are less than critical value(t=3.69),which indicating that the results of Raman spectroscopy had no significant difference with those of GB/T6536-1997 method.Therefore,the technique is well suitable for rapid quantitative determination of the distillation range of aromatic materials.