黄芩油摩擦学和氧化特性的实验和分子水平分析

IF 1.5 Q3 ENGINEERING, MECHANICAL
S. Salaji, N. Jayadas
{"title":"黄芩油摩擦学和氧化特性的实验和分子水平分析","authors":"S. Salaji, N. Jayadas","doi":"10.1155/2020/8821316","DOIUrl":null,"url":null,"abstract":"This study introduces chaulmoogra oil as a base stock for lubricant formulation. The tribological properties of chaulmoogra oil are evaluated by quantitative structure-property relation (QSPR) technique using the molecular modelling package Spartan 18. The quantum chemical calculations were performed on a typical molecule of chaulmoogra oil and its constituent fatty acids. The orbital energy gap of the constituent fatty acids in chaulmoogra oil is 7.37 eV and that of chaulmoogra oil molecule is 6.8 eV, which is less than that of the lauric acid, the main constituent of coconut oil (7.78 eV). Orbital energy gap predicts a better tribological performance for chaulmoogra oil, and the four ball test result is in agreement with this prediction. Oxidative property of chaulmoogra oil is tested by isothermal thermogravimetric/differential thermal analysis (TGA/DTA) and compared with different oils. Weight gain in oxygen is only 0.02% for chaulmoogra oil and showed better oxidative stability among all other tested oils.","PeriodicalId":44668,"journal":{"name":"Advances in Tribology","volume":"2020 1","pages":""},"PeriodicalIF":1.5000,"publicationDate":"2020-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2020/8821316","citationCount":"2","resultStr":"{\"title\":\"Experimental and Molecular Level Analysis of the Tribological and Oxidative Properties of Chaulmoogra Oil\",\"authors\":\"S. Salaji, N. Jayadas\",\"doi\":\"10.1155/2020/8821316\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"This study introduces chaulmoogra oil as a base stock for lubricant formulation. The tribological properties of chaulmoogra oil are evaluated by quantitative structure-property relation (QSPR) technique using the molecular modelling package Spartan 18. The quantum chemical calculations were performed on a typical molecule of chaulmoogra oil and its constituent fatty acids. The orbital energy gap of the constituent fatty acids in chaulmoogra oil is 7.37 eV and that of chaulmoogra oil molecule is 6.8 eV, which is less than that of the lauric acid, the main constituent of coconut oil (7.78 eV). Orbital energy gap predicts a better tribological performance for chaulmoogra oil, and the four ball test result is in agreement with this prediction. Oxidative property of chaulmoogra oil is tested by isothermal thermogravimetric/differential thermal analysis (TGA/DTA) and compared with different oils. Weight gain in oxygen is only 0.02% for chaulmoogra oil and showed better oxidative stability among all other tested oils.\",\"PeriodicalId\":44668,\"journal\":{\"name\":\"Advances in Tribology\",\"volume\":\"2020 1\",\"pages\":\"\"},\"PeriodicalIF\":1.5000,\"publicationDate\":\"2020-10-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1155/2020/8821316\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Advances in Tribology\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1155/2020/8821316\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"ENGINEERING, MECHANICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advances in Tribology","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1155/2020/8821316","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"ENGINEERING, MECHANICAL","Score":null,"Total":0}
引用次数: 2

摘要

本研究介绍了沙豆油作为润滑油配方的基础油。利用分子模拟软件Spartan 18,采用定量构效关系(QSPR)技术对沙豆油的摩擦学性能进行了评价。量子化学计算是对一个典型的沙豆油分子及其组成脂肪酸进行的。椰子油中组成脂肪酸的轨道能隙为7.37 eV,椰子油分子的轨道能隙为6.8 eV,低于椰子油的主要成分月桂酸(7.78 eV)。轨道能隙预示着chaulmoogra油具有较好的摩擦学性能,四球试验结果与这一预测相吻合。采用等温热重/差热分析(TGA/DTA)方法测试了沙芦籽油的氧化性能,并与不同油进行了比较。在氧气条件下,沙豆油的增重率仅为0.02%,并且在所有其他测试油中表现出更好的氧化稳定性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Experimental and Molecular Level Analysis of the Tribological and Oxidative Properties of Chaulmoogra Oil
This study introduces chaulmoogra oil as a base stock for lubricant formulation. The tribological properties of chaulmoogra oil are evaluated by quantitative structure-property relation (QSPR) technique using the molecular modelling package Spartan 18. The quantum chemical calculations were performed on a typical molecule of chaulmoogra oil and its constituent fatty acids. The orbital energy gap of the constituent fatty acids in chaulmoogra oil is 7.37 eV and that of chaulmoogra oil molecule is 6.8 eV, which is less than that of the lauric acid, the main constituent of coconut oil (7.78 eV). Orbital energy gap predicts a better tribological performance for chaulmoogra oil, and the four ball test result is in agreement with this prediction. Oxidative property of chaulmoogra oil is tested by isothermal thermogravimetric/differential thermal analysis (TGA/DTA) and compared with different oils. Weight gain in oxygen is only 0.02% for chaulmoogra oil and showed better oxidative stability among all other tested oils.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Advances in Tribology
Advances in Tribology ENGINEERING, MECHANICAL-
CiteScore
5.00
自引率
0.00%
发文量
1
审稿时长
13 weeks
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信