{"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":null,"pages":null},"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\":null,\"pages\":null},\"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}
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.