عنوان	molecular dynamic simulation of asphaltene precipitation in three solvents of toluene, isopropyl benzene and heptane
نوع پژوهش	مقاله ارائه شده کنفرانسی
کلیدواژه‌ها	molecular simulation , solubility parameter, asphaltene
چکیده	The asphaltenes precipitation has been established for decades by numerous research. To study asphaltene precipitation, molecular dynamic simulation is one way to specified microscopic molecular interactions and structures. In this paper, molecular dynamics simulation was used to study the solubility and aggregation of M1 and VI asphaltenes. For this purpose, solubility parameters of heptane, isopropyl benzene and toluene solvents and as well as M1 and VI asphaltenes were calculated. The molecular dynamic results show that the asphaltene M1 solubility parameter is larger than VI. Isopropyl benzene is a suitable solvent for both asphaltene and toluene is more effective than heptane solvent.
پژوهشگران	امین تیرجو (نفر اول)، بهروز بیاتی (نفر دوم)، محمود رحمتی (نفر سوم)