Material Analysis and Molecular Dynamics Simulation for Cavitation Erosion and Corrosion Suppression in Water Hydraulic Valves
Material Analysis and Molecular Dynamics Simulation for Cavitation Erosion and Corrosion Suppression in Water Hydraulic Valves
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DOI：
10.3390/ma13020453
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发表时间：
2020-01-02
期刊：
影响因子：
3.4
通讯作者：
Madenge, Gabriel Donald
中科院分区：
文献类型：
--
作者：
Mlela, Masoud Kamoleka;Xu, He;Madenge, Gabriel Donald
在使水压阀更有优势的里程碑式的跨越中，水压阀涂层聚合物的选择对减轻气蚀和腐蚀的影响起着至关重要的作用，是设计人员的一项重要任务。为了实现适当的选择，我们将对侵蚀和腐蚀抑制剂至关重要的性能以及摩擦系数意义上的摩擦学相冲突。本文的目的是选择最佳的替代聚合物涂层在选定的基板上，即Cr2 O3，Al 2 O3，Ti 2 O3。通过应用PROMETHEE（富集评价的优先排序组织方法），通过分析性能属性获得的最佳聚合物是聚四氟乙烯（PTFE），其排名较高（0.5932052）。进行分子动力学（MD）模拟，以确定更强的结合与更好的切割平面之间的聚四氟乙烯（PTFE）和选定的基板。在（010）面解理的聚四氟乙烯（PTFE）/Al_2O_3是结合能最强的键（3188 kJ/mol），适合进一步研究。
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, Cr2O3, Al2O3, Ti2O3. 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)/Al2O3 cleaved in (010) plane was observed to be the strongest bond in terms of binding energy (3188 kJ/mol) suitable for further studies.