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油-水-固三相接触线移动的温度影响机制

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温度会显著影响三相接触线的移动,从分子尺度获得接触线微观运动规律及温度影响机理,对深入研究纳米空间内的油水流动具有重要意义.本文构建了正癸烷-水-二氧化硅三相接触线的分子动力学模型,从接触线运动机制、分子取代频率及分子跳跃平均距离等角度,研究了不同三相润湿性时温度对三相接触线移动的影响.结果表明,油-水-固接触线在不同润湿性下呈现"翻转式""塞状式"和"剪切式"几种机制,导致接触线运动速度呈现逐渐上升至平稳、逐渐下降至平稳和趋于0几种不同的规律,温度升高并未改变上述运动机制及规律.温度升高会引起分子能量增大、吸附密度降低,从而使分子在吸附位点之间的取代频率升高,且"塞状式"机制下分子取代频率的增加幅度明显大于"翻转式",即在中等润湿性壁面时温度升高对三相接触线移动的促进作用大于亲水壁面.温度变化对分子跳跃平均距离的影响不大,温度升高导致分子取代频率的升高是加速接触线运动的主要原因.
Mechanism underlying influence of temperature on oil-water-solid contact-line movement
Temperature can considerably affect the movement of the three-phase contact line.Investigating the microscopic motion and temperature influence mechanism of the contact line plays a pivotal role in further examination of the oil-water flow at the nanoscale.In this paper,a molecular dynamics model of a n-decane-water-silica contact line was established.The influence of temperature on the movement of the contact line was studied based on the mechanism of the contact-line movement,molecular jump distance,and molecular frequency.The results show that the oil-water-solid contact line exhibits"flipping""plug"and"shear"movements under different wettability conditions,resulting in the different trends of the contact-line speed to change from gradually increasing to becoming stable,from gradually decreasing to becoming stable,tending to be 0.Temperature does not change the above motion mechanism and law.An increase in molecular energy and a decrease in adsorption density result in an increase in molecular displacement frequency between adsorption sites.Additionally,the increase in molecular displacement frequency under the"plug"mechanism is considerably greater than that under the"flipping"mechanism.Thus,the temperature-promoting effects on the movement of the three-phase contact line on a medium-wettability surface are greater than those on a hydrophilic surface.Moreover,temperature has a minor effect on the mean distance of the molecular jump,and an increase in molecular displacement frequency caused by the increasing temperature is the primary reason behind the acceleration of the contact-line movement.

three-phase contact linetemperaturemolecular dynamics

郑文秀、温伯尧、白博峰

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空军工程大学防空反导学院,西安 710051

西安交通大学动力工程多相流国家重点实验室,西安 710049

三相接触线 温度 分子动力学

中国博士后科学基金

2022M723873

2024

中国科学(物理学 力学 天文学)
中国科学院

中国科学(物理学 力学 天文学)

CSTPCD北大核心
影响因子:0.644
ISSN:1674-7275
年,卷(期):2024.54(2)
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