深海环境中聚烷基二醇运动粘度的分子动力学预测

IF 2.1 3区 工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY
Xiao Dingcheng, Deng Yipan, Wang Zhenyao, Jiang Zhiwen and Liu Yinshui*, 
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引用次数: 0

摘要

采用水-乙二醇液压油作为工作介质是深海液压系统的重要发展方向。粘度是表征流场的一个重要参数。研究聚烷基二醇作为水-乙二醇增稠剂在深海环境下的粘度特性,有助于研究深海条件下水-乙二醇液压油的粘度特性。本文采用分子动力学方法,基于OPLS-AA力场计算了PAG 75-W-130的运动粘度。采用非平衡分子动力学方法计算了动态粘度。在293.15 ~ 373.15 K的环境压力和温度下,计算密度与实验结果一致,计算粘度大于实验结果。并对PAG 75-W-130在深海环境下的密度和动态粘度进行了预测。计算得到的粘度和密度随压力的增加呈指数增长。在全海深密度从1069.2增加到1110.4 kg/m3,在11000 m海深粘度达到10.99 Pa·s。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Kinematic Viscosity Prediction of Polyalkylene Glycol in a Deep-Sea Environment from Molecular Dynamics

Kinematic Viscosity Prediction of Polyalkylene Glycol in a Deep-Sea Environment from Molecular Dynamics

Kinematic Viscosity Prediction of Polyalkylene Glycol in a Deep-Sea Environment from Molecular Dynamics

Using water-glycol hydraulic fluid as a working medium is an important development direction in deep-sea hydraulic systems. Viscosity is an important parameter in the characterization of flow fields. The study of the viscosity characteristics of polyalkylene glycols as a water–glycol thickener in deep-sea environments can help to research the viscosity properties of water glycol hydraulic fluid under deep-sea conditions. In this paper, a molecular dynamics method is used to compute the kinematic viscosity of PAG 75-W-130 based on the OPLS-AA force field. Dynamic viscosity was calculated by the nonequilibrium molecular dynamics method. At ambient pressure and temperatures from 293.15 to 373.15 K, the calculated density is in accord with the experimental results and the calculated viscosity is more than the experimental result. Moreover, the density and dynamic viscosity of PAG 75-W-130 are predicted in a deep-sea environment. The calculated viscosity and density increase exponentially with increasing pressure. The density increases from 1069.2 to 1110.4 kg/m3 at full sea depths, and the viscosity is up to 10.99 Pa·s at the sea depth of 11,000 m.

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来源期刊
Journal of Chemical & Engineering Data
Journal of Chemical & Engineering Data 工程技术-工程:化工
CiteScore
5.20
自引率
19.20%
发文量
324
审稿时长
2.2 months
期刊介绍: The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.
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