Molecular dynamics simulations of aggregation and viscosity properties of model asphaltene molecules containing a polycyclic hydrocarbon nucleus with toluene additive under shear interactions

Author:

Peng Baoliang1ORCID,Yuan Lingfang2,Tang Xianqiong23,Wang Yao4,Li Yingying1,Liu Weidong1,Pei Yong2ORCID

Affiliation:

1. Research Institute of Petroleum Exploration & Development (RIPED), PetroChina, Key Laboratory of Oilfield Chemistry, CNPC, Beijing, 100083, People's Republic of China

2. Key Laboratory for Green Organic Synthesis and Application of Hunan Province, Key Laboratory of Environmentally Friendly Chemistry and Applications of Ministry of Education, Xiangtan University, Xiangtan, 411100, People's Republic of China

3. School of Mechanical Engineering and Mechanics, Xiangtan University, Xiangtan, 411100, People's Republic of China

4. PetroChina Liaohe Oilfield Company, Panjin, 124010, People's Republic of China

Abstract

Molecular dynamics (MD) simulations were carried out to study the aggregation behavior and viscosity properties of 15 structurally homologous model asphaltene molecules under shear conditions and with a toluene additive with different concentrations.

Funder

National Natural Science Foundation of China

Science and Technology Program of Hunan Province

Publisher

Royal Society of Chemistry (RSC)

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