润滑油基础油分子表征方法及其黏度性质预测

采用气相色谱/场电离飞行时间质谱(GC/FI TOF MS)对润滑油基础油进行分子表征。依据精确相对分子质量和质谱图平均丰度分别进行定性和定量分析，可简单快速地获得基础油中链烷烃及一环～六环环烷烃的碳数分布结果。基于基础油分子组成数据，采用Kennard-Stone方法将样品集分为校正集和验证集，依据偏最小二乘方法(PLS)建立预测黏度和黏度指数的模型，模型验正集及预测集预测值的标准偏差分别小于2.0 mm²/s和2.0,相关系数均大于0.99。所建模型对基础油黏度及黏度指数的预测适用性好、准确度高，具有一定的实用价值。

MOLECULAR CHARACTERIZATION AND VISCOSITY PROPERTY PREDICTION OF LUBE BASE OIL

The molecular composition of lube base oil was characterized by gas chromatography/field ionization time-of-flight mass spectrometry (GC/FI TOF MS). The carbon number distribution of alkanes and 1-6 rings naphthenes in base oils could be obtained simply and quickly by qualitative analysis based on accurate relative molecular mass and mass spectrum quantitative analysis. Based on the molecular composition data of the base oil, the Kennard-Stone design method was used to divide the sample set into a calibration set and a verification set. A model for predicting viscosity and viscosity index was established based on the partial least squares method (PLS). The standard deviations of the model calibration value and prediction value based on molecular composition data were less than 2.0 mm²/s for viscosity and 2 for viscosity index,respectively,and the correlation coefficient(R) was greater than 0.99. The model has good applicability and high accuracy for the prediction of base oil viscosity and viscosity index, and it has certain practical value.