中文摘要：

对重质油HVGO基本物性和化学结构进行了详细分析和研究.利用实验得到的核磁共振氢谱、相对分子质量、红外光谱等数据,采用改进的Brown-Ladner方法,获得重质油的化学平均结构为C24H38S0.33N0.04.并采用分子动力学与密度泛函相结合的方法,获得重质油平均分子的最可几空间构象,分析其相关电子性质可知,苯环的电子云密度较大,较易被吸附在分子筛催化剂表面,发生催化反应,由此建议加工此类重质油的催化剂应采用具有梯级孔道分布的催化剂以保证裂解性能和产品选择性.

英文摘要：

The properties and chemical structure of heavy oil HVGO were studied by the improved Brown-Lander method using the data of 1 H NMR,IR,and relative molecular mass.The average chemical structure was obtained to be C24H38S0.33N0.04.The most probable conformation of HVGO average molecule was calculated by MD and DFT methods.According to the electron properties of average molecule,electron cloud density of benzene ring is the highest in the molecule.It can be deduced that benzene ring can easily adsorb on the active sites of zeolite catalyst.Therefore,catalyst with a hierarchical architecture of porosity is highly recommended for treating this type of heavy oil feedstock.