Molecular Reconstruction Of Petroleum Fractions Based On Crude Oil Calibration

With the development of economy and society,petroleum processing should meet the requirement of society,and the consumption and the pollution in petroleum processing should be reduced.Thus,more precise models should be applied.However,in industry,the analytical data of petroleum products could not always meet the requirement of the models.In that case,molecular reconstruction should be applied so that the detailed compositions of petroleum fractions could be obtained.In this article,compositions of petroleum fractions were obtained through molecular reconstruction based on oil calibration.As to naphtha fractions,a molecular library was firstly used so that the naphtha fractions could be simulated.Then the compositions of the molecules were adjusted by entropy maximization.For diesel fractions,a number of molecules may exist in diesel fractions should at first be generated by stochastic reconstruction,and the parameters in the probability distribution function were adjusted by genetic algorithm.Then the compositions of the molecular mixtures were further optimized by entropy maximization.Molecular reconstruction is the basis of molecular-scale petroleum processing management.It can provide detailed feedstock compositions for more detailed models.Therefore,in this article,reconstructed compositions were used in more detailed models.For naphtha fractions,they were used in the simulation of catalytic reforming.By combining molecular reconstruction with more detailed kinetic models,detailed product distribution of a feedstock under a certain process condition could be obtained.For diesel fractions,their cetane indices were estimated based on detailed compositions and were compared with actual value.The estimated value can well fit with actual value,which could illustrate that reconstructed components could reflect the properties of actual components.The molecular reconstruction based on crude oil calibration can be applied in the petroleum process simulation and properties estimation which are close to molecular scale based on detailed compositions of petroleum product so that molecular-scale petroleum processing management could be effectively promoted.