摘要
The mobility and aggregation behavior of macromolecular lubricant oxidation products and their influences on the performance of base stock were probed by molecular dynamics(MD)simulation.The mean square displacement(MSD)of molecules was calculated to explore the mobility of molecules.The distribution appearance of lubricant oxidation products in models was acquired to explore the aggregation of molecules.The results show that the mobility of macromolecular oxidation products is lower than that of base stock.The MSD of macromolecular oxidation products reduces with an increasing macromolecular weight.Macromolecular oxidation products can also decrease the mobility of base stock.The interaction energy between the macromolecules and the base stock soars with the increase of macromolecular weight.Macromolecules with a larger molecular weight can affect more base stock molecules with stronger restriction,which leads to lower mobility of base stock molecules.There are aggregates formed among macromolecular oxidation products,and the molecules in aggregates are connected by hydrogen bonds.The quantity of hydrogen bonds in aggregates is related to temperature.
基金
The authors are grateful for the calculation support of the Key Laboratory of Molecular Oil Refining of the Research Institute of Petroleum Processing in SINOPEC and the financial supports from the Natural Science Foundation of China(NSFC
No.51671100)
the State Key Laboratory of Metal Material for Marine Equipment and Application-School of Material and Metallurgy,University of Science and Technology Liaoning Co-project(No.SKLMEA-USTLN 201905)
the University of Science and Technology Liaoning Talent Project(No.601010314)
the University of Science and Technology Liaoning Young Teachers Fund(No.2019QN08).
