CAJ | 학술논문

重质油是以沥青质为胶核分散于饱和油分中形成的极其复杂的胶体体系.本文采用耗散粒子动力学(DPD)方法研究重质油的胶体结构及其影响因素.根据重质油各组分的分子结构特征,构建了描述重质油组分的粗粒化模型化合物.模拟结果表明,本文构建的粗粒化模型能很好地反映重质油的胶体聚集结构.沥青质分子结构对胶体聚集结构有序性有显著影响,较高稠合程度的芳香环结构将使胶束结构有较高的有序性,烷基侧链则表现出分散作用.重质油中的胶质具有胶溶作用,胶质与沥青质的浓度比存在一个极限,当小于这个极限时,重质油将出现聚沉.
중질유시이력청질위효핵분산우포화유분중형성적겁기복잡적효체체계.본문채용모산입자동역학(DPD)방법연구중질유적효체결구급기영향인소.근거중질유각조분적분자결구특정,구건료묘술중질유조분적조립화모형화합물.모의결과표명,본문구건적조립화모형능흔호지반영중질유적효체취집결구.력청질분자결구대효체취집결구유서성유현저영향,교고주합정도적방향배결구장사효속결구유교고적유서성,완기측련칙표현출분산작용.중질유중적효질구유효용작용,효질여력청질적농도비존재일개겁한,당소우저개겁한시,중질유장출현취침.
Heavy oil is an extremely complex colloidal system where asphaltenes.as the cole of miceUes,are dispersed in the continuous phase of other saturated fractions.We used dissipative particle dynamics (DPD) to simulate the mesoscopic colloidal Structure of heavy oil and to determine its effective factors.Coarse-graineA DPD model molecules were constructed in accordance with molecular structures of the component fractions in heavy oil.A modification of the standard DPD program was used to calculate the motion of rigid polycycfic aromatic rings.The simulations show that the coarse-grained DPD models used in this paper predict the colloidal structure of heavy oil well.The ordered sffucture of micelles depends greatly on the molecular structure of asphaltenes.Higher ordered micelles contain highly fusea aromatic rings whereas the alkyl side-chains exhibit dispersing behavior.Deflocculation of the resins was observed in the simulations.A critical concentration ratio for the resin and asphaitene exists.The coagulation ofheavy oil occurs when the concentration ratio of resin and asphaltene is less than this critical value.