Abstract：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.
