关键词: 分子管理, 汽油分子组成, 调合组分, 辛烷值预测模型, 汽油调合模型

Abstract: A molecular composition based gasoline octane number prediction model was proposed， which can predict not only the octane number of diverse blending gasoline components but also blended gasoline products by the use of blending the molecular composition and blending ratio of the components. The proposed model was based on 488 hydrocarbon molecules and oxygenates of the gasoline. The effect of interactions on octane number in detail was taken into account, which are among the total aromatics and the total alkanes， total olefins， total naphthenes， oxygenates four components. The improved model was used to predict various gasoline blending components with measured research octane number from 45 to 108 in refineries such as straight run naphtha， reformed oil and FCC gasoline， and the standard error of model prediction result was 0.21. For the gasoline blending process， six different measured research octane number blended gasoline products are predicted， and the standard error of model prediction result is 0.69. The prediction results demonstrate that the proposed model is independent on the quantity， type or property of the blended components， and has robust prediction accuracy for both different gasoline blending components and blended gasoline products.

Key words: molecular management, gasoline molecular, blending component, octane prediction model, gasoline blending model