Hydrogen solubility prediction for diesel molecules based on a modified Henry equation  

作　　者：Run Guo Xiang Bai Yang Lu Lin-Zhou Zhang Xing-Ying Lan Zhen-Tao Chen Quan Shi Suo-Qi Zhao 

机构地区：[1]State Key Laboratory of Heavy Oil Processing&Petroleum Molecular Engineering Center(PMEC),China University of Petroleum,Beijing 102249,People's Republic of China

出　　处：《Petroleum Science》2022年第1期363-374,共12页石油科学（英文版）

基　　金：supported by the National Key Research and Development Program of China(No.2018YFA0702400);the Science Foundation of China University of Petroleum,Beijing(Nos.2462018BJC003 and 2462018QZDX04)。

摘　　要：Diesel hydrotreatment removes heteroatoms and polycyclic aromatics in diesel in the presence of highpressure hydrogen gas.The hydrogen solubility is the basis for hydrogen consumption prediction and process design/optimization.In the presented study,we established a method to predict the hydrogen solubility of diesel molecules and mixture.A modified Henry equation was proposed to illustrate the hydrogen solubility variation among the temperature and pressure.The parameters of the modified Henry equation for typical molecules were regressed from literature data.Then we established an empirical correlation between the parameter and the structure and property of molecules.The method was then combined with a molecular-level compositional model to accurately predict the hydrogen solubility in diesel,illustrating the validity of the method.

关 键 词：Diesel hydrotreatment Hydrogen solubility Modified henry equation Molecular-level compositional model 

分 类 号：TE626.24[石油与天然气工程—油气加工工程]