基于原油评价的石脑油馏分分子重构

Molecular Reconstruction of Naphtha Fractions Based on Crude Oil Calibration

基于原油评价的分子重构可为工业上的精细模型提供可靠的油品详细组成,本研究依据原油标定中的数据,对四组原油中的石脑油馏分进行了分子重构。研究中选用原油标定数据中石脑油馏分密度、馏程数据以及烃族分析数据作为分子重构中油品的实际性质。使用了一个分子库以表示石脑油馏分中的分子,同时选用合适的方法,对分子库中分子的性质进行估计。选用了合适的方法对重构所得分子混合物的性质进行计算,并使用熵最大化法以获取分子混合物的详细组成。所得的重构组分性质与油品实际组分的性质相对误差较小。借助于本研究所使用的分子重构方法,可获得能够较好地反映油品实际组分性质的重构组分,并可用于实际工业的模拟计算中,可有效地推进石油加工过程的分子管理。

Molecular reconstruction based on crude oil calibration can provide reliable detailed components of oil fractions for the detailed models in industry.In this research,the naphtha fractions from the samples of four crude oil were reconstructed based on the data from crude oil calibration.The hydrocarbon analytical data,distillation data and density in crude oil calibration were applied as experimental data in this molecular reconstruction.Then,a molecular library was applied to simulate the molecules in naphtha fractions,and appropriate methods were used to estimate the properties of the molecules in the library.After that,appropriate methods for molecular mixtures properties estimation were selected,and the compositions of the molecules were optimized by entropy maximization.The relative errors between the properties of reconstructed components and the properties of actual components are relatively small.The method introduced in this article could obtain the reconstructed components that can well reflect the properties of actual components.It can be used in industrial simulation,by which molecular management for petroleum processing could be effectively promoted.