Microscopic Aggregation and Film-Forming Characteristics of Lubricant Additives on Oil–Water Interface: MD Simulation and Experiments on Water Separability

IF 1.8 4区工程技术 Q3 ENGINEERING, CHEMICAL

Lubrication Science Pub Date : 2024-08-16 DOI:10.1002/ls.1718

Xinhuiyu Shen, Ya Lyu, Yingying Gong

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引用次数: 0

Abstract

The anti-emulsification property of lubricating oil is an important index to measure the quality of oil. In this paper, the behaviour of surfactants such as lubricating oil additives at the oil–water interface and the influence of the position of ethylene oxide (EO) and propylene oxide (PO) in the block polyether demulsifier on the demulsification effect were investigated by molecular simulation and experimental verification. The properties of seven lubricating oil additives with different functions and two pairs of isomers were investigated by molecular simulation, and their demulsification effects were verified by experiments. Some simulation results such as interface thickness and density distribution can accurately predict the experimental demulsification effect. Moreover, it was found that the position isomerism of surfactants affected the demulsification performance by changing the lipophilic balance and interface properties. The demulsification performance of sequenced copolymers is generally better than that of anti-sequenced copolymers. The accurate prediction of molecular dynamics simulation makes the selection of lubricating oil demulsifier more extensive and has practical application value.

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润滑油添加剂在油水界面上的微观聚集和成膜特性：水分离性的 MD 模拟和实验

润滑油的抗乳化性能是衡量油品质量的一项重要指标。本文通过分子模拟和实验验证，研究了润滑油添加剂等表面活性剂在油水界面上的行为，以及环氧乙烷（EO）和环氧丙烷（PO）在嵌段聚醚破乳剂中的位置对破乳化效果的影响。通过分子模拟研究了七种不同功能的润滑油添加剂和两对异构体的性能，并通过实验验证了它们的破乳化效果。一些模拟结果，如界面厚度和密度分布，可以准确预测实验中的破乳化效果。此外，研究还发现表面活性剂的位置异构会通过改变亲油平衡和界面特性来影响破乳性能。排序共聚物的破乳化性能普遍优于反排序共聚物。分子动力学模拟的精确预测使润滑油破乳化剂的选择更加广泛，具有实际应用价值。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Lubrication Science ENGINEERING, CHEMICAL-ENGINEERING, MECHANICAL

CiteScore

3.60

自引率

10.50%

发文量

审稿时长

6.8 months

期刊介绍： Lubrication Science is devoted to high-quality research which notably advances fundamental and applied aspects of the science and technology related to lubrication. It publishes research articles, short communications and reviews which demonstrate novelty and cutting edge science in the field, aiming to become a key specialised venue for communicating advances in lubrication research and development. Lubrication is a diverse discipline ranging from lubrication concepts in industrial and automotive engineering, solid-state and gas lubrication, micro & nanolubrication phenomena, to lubrication in biological systems. To investigate these areas the scope of the journal encourages fundamental and application-based studies on: Synthesis, chemistry and the broader development of high-performing and environmentally adapted lubricants and additives. State of the art analytical tools and characterisation of lubricants, lubricated surfaces and interfaces. Solid lubricants, self-lubricating coatings and composites, lubricating nanoparticles. Gas lubrication. Extreme-conditions lubrication. Green-lubrication technology and lubricants. Tribochemistry and tribocorrosion of environment- and lubricant-interface interactions. Modelling of lubrication mechanisms and interface phenomena on different scales: from atomic and molecular to mezzo and structural. Modelling hydrodynamic and thin film lubrication. All lubrication related aspects of nanotribology. Surface-lubricant interface interactions and phenomena: wetting, adhesion and adsorption. Bio-lubrication, bio-lubricants and lubricated biological systems. Other novel and cutting-edge aspects of lubrication in all lubrication regimes.