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Experimental and molecular dynamics simulation investigations of adhesion in heavy oil/water/pipeline wall systems during cold transportation
Energy ( IF 9.0 ) Pub Date : 2022-03-22 , DOI: 10.1016/j.energy.2022.123811
Yang Lyu 1, 2 , Qiyu Huang 1, 2 , Luoqian Liu 1, 2 , Dongxu Zhang 1, 2 , Huiyong Xue 3 , Fuqiang Zhang 1, 2 , Hanwen Zhang 1, 2 , Rongbin Li 4 , Qiuchen Wang 3
Affiliation  

With the increased water content in heavy oil gathering pipelines and application of cold transportation methods, understanding adhesion behavior in heavy oil/water/pipeline wall systems has greatly gained in importance. Here, a combined experimental and molecular dynamics (MD) simulation was used to investigate the effect of the heavy oil composition and molecular structures on adhesion. The capacity of heavy oil adhesion and the effect of adding asphaltene molecules to the heavy oil were studied experimentally. MD simulation systems with different asphaltene concentrations were established based on the NPT and NVT ensembles. The results showed that the addition of asphaltene increases the adhesion of heavy oil by as much as 16.60–83.35%. The center of mass, mean square displacement, and radial distribution function of heavy oil droplets were also analyzed, which indicated that the viscosity and thickness of the heavy oil adhesion layer were also affected by the asphaltene content. The functional groups in asphaltene molecules promote the adhesion of oil droplets and inhibit the adhesion of the water phase. Further, asphaltene aggregates are formed by face-to-face stacking, which severely impedes heavy oil flow assurance. The results from this study greatly contribute to understanding the mechanisms of heavy oil adhesion during cold transportation.



中文翻译:

冷运输过程中稠油/水/管道壁系统粘附的实验和分子动力学模拟研究

随着稠油集输管道中含水量的增加和冷输方法的应用,了解稠油/水/管道壁系统中的粘附行为变得越来越重要。在这里,结合实验和分子动力学(MD)模拟来研究稠油成分和分子结构对粘附的影响。实验研究了稠油黏附能力和加入沥青质分子对稠油的影响。基于 NPT 和 NVT 集合建立了不同沥青质浓度的 MD 模拟系统。结果表明,沥青质的加入使稠油的附着力提高了16.60-83.35%。质心,均方位移,分析了稠油液滴的径向分布函数和径向分布函数,表明稠油黏附层的粘度和厚度也受沥青质含量的影响。沥青质分子中的官能团促进油滴的粘附,抑制水相的粘附。此外,沥青质聚集体是面对面堆积形成的,严重阻碍稠油流动保障。这项研究的结果极大地有助于了解冷运输过程中稠油粘附的机制。沥青质聚集体是面对面堆积形成的,严重阻碍稠油流动保障。这项研究的结果极大地有助于了解冷运输过程中稠油粘附的机制。沥青质聚集体是面对面堆积形成的,严重阻碍稠油流动保障。这项研究的结果极大地有助于了解冷运输过程中稠油粘附的机制。

更新日期:2022-03-22
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