Molecular reconstruction of naphtha by maximum information entropy method. (4th March 2019)

• Record Type: Journal Article
• Authors: Xue, Xudan; Jiang, Hongbo; Ouyang, Fusheng; Zhou, Xiaolong
• Is Part Of: Petroleum science and technology. Volume 37:Number 5(2019)
• Page Start: 535
• Page End: 542
• Publication Date: 2019-03-04
• Subjects: Daubert's model; maximum information entropy method -- molecular library -- molecular reconstruction -- naphtha; Liquid fuels -- Periodicals; Petroleum -- Periodicals; 665.505
• DOI: 10.1080/10916466.2018.1550496
• Languages: English
• ISSNs: 1091-6466

Abstract

Abstract: Naphtha is the feedstock for steam cracking and catalytic reforming of aromatics. Based on the molecular library and 42 groups of practical data including the properties of density, potential aromatic content, the weight fractions of PNA and carbon number distribution, a molecular reconstruction model for naphtha was established by maximum information entropy method. The content of 451 components for naphtha were estimated. The molecular composition generated by the simulation is in good agreement with the practical data. The model can provide the referential value for the steam cracking and catalytic reforming of aromatics processes at molecular level.