Institute of Process Engineering and Environmental Technology , Technical University of Dresden , George-Bähr Street 3b , 01069 Dresden , Saxony , Germany.
Department of Civil and Environmental Engineering, School of Mining and Petroleum Engineering , University of Alberta , Edmonton, Alberta T6G 2W2 , Canada.
Langmuir. 2018 Nov 20;34(46):13845-13854. doi: 10.1021/acs.langmuir.8b02566. Epub 2018 Nov 5.
Asphaltene is a complex macromolecule whose abundance strongly affects the physical and interfacial properties of crude oil. Asphaltene molecules may precipitate during crude oil production/transportation, which may lead to plugging/clogging of wellbores, pipelines, and equipment. In this study, the solubility of asphaltene in toluene has been investigated by calculation of noncovalent interaction energies between asphaltenes in toluene medium. The results of this study revealed that the main interactions in the asphaltene-toluene system are Lifshitz-van der Waals and Lewis acid-base interactions, whereas the electrostatic double layer is of lower comparative order of significance specifically at lower separation distances and lower ζ potentials. However, the repulsive electrostatic double-layer interactions may assist in stabilizing the asphaltene-toluene system based on the comparative values of Lifshitz-van der Waals, Lewis acid-base, and electrostatic double-layer interactions. This is the case especially at higher separation distances and/or higher temperatures where asphaltene particles have greater values of ζ-potential. Furthermore, it is illustrated that when asphaltene has a lower electron-donor parameter, i.e., a lower basicity than toluene, then Lewis acid-base interactions between asphaltenes in toluene are repulsive. This repulsive Lewis acid-base interaction may compensate for the attractive van der Waals interactions between asphaltene particles at low asphaltene basicity. Finally, the electron donor/acceptor component of the surface energy strongly determines the fate of asphaltene in crude oil colloidal system.
沥青质是一种复杂的大分子,其丰度强烈影响原油的物理和界面性质。沥青质分子可能在原油的生产/运输过程中沉淀,这可能导致井筒、管道和设备堵塞。在这项研究中,通过计算甲苯中沥青质之间的非共价相互作用能,研究了沥青质在甲苯中的溶解度。研究结果表明,在沥青质-甲苯体系中,主要的相互作用是Lifshitz-van der Waals 和路易斯酸碱相互作用,而静电双层的相对重要性较低,特别是在较低的分离距离和较低的ζ电位下。然而,排斥的静电双层相互作用可能有助于基于 Lifshitz-van der Waals、路易斯酸碱和静电双层相互作用的相对值稳定沥青质-甲苯体系。在较高的分离距离和/或较高的温度下,情况尤其如此,此时沥青质颗粒具有较高的ζ电位。此外,还说明了当沥青质的电子给体参数(即碱性比甲苯低)较低时,甲苯中的沥青质之间的路易斯酸碱相互作用是排斥的。这种排斥的路易斯酸碱相互作用可能会补偿沥青质颗粒之间在低沥青质碱性下的范德华吸引力。最后,表面能的电子供体/受体分量强烈决定了沥青质在原油胶束体系中的命运。