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水液压阀中空蚀与腐蚀抑制的材料分析及分子动力学模拟

Material Analysis and Molecular Dynamics Simulation for Cavitation Erosion and Corrosion Suppression in Water Hydraulic Valves.

作者信息

Mlela Masoud Kamoleka, Xu He, Sun Feng, Wang Haihang, Madenge Gabriel Donald

机构信息

College of Mechanical and Electrical Engineering, Harbin Engineering University, Harbin 150001, China.

College of Aerospace and Civil Engineering, Harbin Engineering University, Harbin 150001, China.

出版信息

Materials (Basel). 2020 Jan 17;13(2):453. doi: 10.3390/ma13020453.

DOI:10.3390/ma13020453
PMID:31963538
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7014062/
Abstract

In the milestone of straggling to make water hydraulics more advantageous, the choice of coating polymer for water hydraulics valves plays an essential role in alleviating the impact of cavitation erosion and corrosion, and this is a critical task for designers. Fulfilling the appropriate selection, we conflicted properties that are vital for erosion and corrosion inhibitors, as well as the tribology in the sense of coefficient of friction. This article aimed to choose the best alternative polymer for coating on the selected substrate, that is, CrO, AlO, TO. By applying PROMETHEE (Preference Ranking Organization Method for Enrichment Evaluations), the best polymer obtained with an analyzed performance attribute is Polytetrafluoroethylene (PTFE) that comes up with higher outranking (0.5932052). A Molecular Dynamics (MD) simulation was conducted to identify the stronger bonding with the regards of the better cleave plane between Polytetrafluoroethylene (PTFE) and the selected substrate. Polytetrafluoroethylene (PTFE)/AlO cleaved in (010) plane was observed to be the strongest bond in terms of binding energy (3188 kJ/mol) suitable for further studies.

摘要

在努力使水力学更具优势的里程碑中，水力学阀门涂层聚合物的选择对于减轻气蚀和腐蚀的影响起着至关重要的作用，这对设计师来说是一项关键任务。在进行合适的选择时，我们遇到了对于腐蚀和腐蚀抑制剂至关重要的相互冲突的性能，以及从摩擦系数角度来看的摩擦学问题。本文旨在为所选基材（即CrO、AlO、TO）选择最佳的涂层聚合物替代品。通过应用PROMETHEE（偏好排序组织方法用于富集评估），在分析的性能属性方面获得的最佳聚合物是聚四氟乙烯（PTFE），其具有更高的优势度（0.5932052）。进行了分子动力学（MD）模拟，以确定聚四氟乙烯（PTFE）与所选基材之间在更好的解理面方面更强的键合。就结合能（3188 kJ/mol）而言，观察到聚四氟乙烯（PTFE）/AlO在（010）平面上解理是最强的键，适合进一步研究。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/426d/7014062/72c51fe1619a/materials-13-00453-g008.jpg
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