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根据30多个纯饱和烃的红外光谱数据以及文献数据,并将短阵运算用于最小二乘法,求出了测定饱和烃中CH_3,CH_2,和结构族组成的多重迴归方程式.可用来分析石油馏分饱和烃的结构族组成.经用单体烃和配制的饱和烃混合物校验,求得平均分析误差如下:CH_3<±4%,开链CH_2<±5%,及。讨论了饱和烃支链甲基在1340—1400厘米~(-1)区吸收的反常现象,计算出支链甲基吸收为尾端甲基的2.8倍.在计算光谱狭缝宽度/谱带表观半宽度≯0.2的情况下,所得吸收率与Jones的正烷烃在3000厘米~(-1)处的数据相吻合,作者认为此条件可能成为统一各实验室测定液态烷烃红外光谱数据的标准.
Based on the infrared spectrum data of over 30 pure saturated hydrocarbons and the literature data, and using the short array operation for the least-squares method, the multiple regression equation for determining the composition of CH_3, CH_2, and structure families in saturated hydrocarbons was obtained. Petroleum distillate saturated hydrocarbons structural group composition.Using monomer hydrocarbons and the preparation of the mixture of saturated hydrocarbons calibration, obtained the average analysis error is as follows: CH_3 <± 4%, open chain CH_2 <± 5%, and. The anomalous absorption of saturated methyl branched chain branches in the 1340-1400 cm ~ (-1) region was discussed, and the absorption of branched methyl groups was calculated to be 2.8 times that of the terminal methyl group. After calculating the spectral slit width / In the case of a half-width of ≯0.2, the absorbance obtained is in agreement with Jones’s normal paraffin data at 3000 cm -1 and the authors believe this condition may be the standard for unifying laboratory-defined liquid alkane infrared spectral data.