超稠油改质降黏分子模拟及机理

为了研究微乳液纳米镍对特超稠油的改质降黏效果,利用分离改质降黏前、后的特超稠油,对反应前、后稠油重质组分沥青质及胶质的平均分子量、元素及核磁共振进行测定,结合化学分子模拟软件Hyperchem对特超稠油改质降黏进行了分子模拟及机理研究。模拟实验结果表明:特超稠油经过改质降黏反应后,其黏度大幅度下降,氢/碳原子比升高;沥青质与胶质分子的尺寸明显减小,沥青质分子量降低幅度较大;改质降黏剂能与特超稠油重质组分稠环芳烃盘状中心核沥青质接触,并导致其稳定的盘状芳环结构破坏,从而使沥青质分子的聚集状态得以改善,胶质分子稳定沥青质分子的作用增强。

Molecular simulation and mechanism for upgrading and viscosity reduction of extra-heavy oil

To study the upgrading and viscosity reduction effect of micro-emulsion nano-nickel on extra-heavy oil, the extra-heavy oil prior and posterior to separation, upgrading and viscosity reduction was used for measuring the average molecular weight, elements and nuclear magnetic resonance of asphaltene and gum as heavy components of heavy oil before and after reaction. In combination with the chemical molecule simulation software Hyperchem, molecular simulation and mechanism research was carried out on the upgrading and viscosity reduction of extra-heavy oil. The results of simulation experiments show that after upgrading and viscosity reduction, the viscosity of extra-heavy oil is reduced greatly, and the atomic ratio of hydrogen to carbon is increased; the sizes of asphaltene and gum molecules are reduced significantly, and the molecular weight of asphaltene presents a large decline magnitude; the upgrading and viscosity reducing agent is contacted with asphaltene in the discoid centronucleus of condensed aromatics as a heavy component of extra-heavy oil, leading to the failure of stable discoid aromatic ring structure, so as to improve the aggregation status of asphaltene molecule and enhance the role of gum molecule in stabilizing asphaltene molecule.