{"title":"On the Computation of Temperature Indices of Silicates, with Strong Potential to Predict the Boiling Point of Hydrocarbons","authors":"Jian Zhong Xu, Zaryab Hussain, Fairouz Tchier, Ferdous Tawfiq","doi":"10.1007/s12633-024-03081-x","DOIUrl":null,"url":null,"abstract":"<div><p>The molecular graph of a chemical compound can be measured using a topological index, which helps us to understand its physical and chemical characteristics. Topological indices play a crucial role in characterizing the different chemical properties of substances, such as <span>\\(SiO_{4}\\)</span>, within the field of chemical graph theory. <span>\\(SiO_{4}\\)</span> is an important compound owing to its versatility, accessibility, and quantifiability. In this study, we developed the methodology for calculating various temperature indices for a linear molecular graph of <span>\\(SiO_{4}\\)</span>. We compare and find the correlation of temperature indices of silicate chain. In the last section of the paper, we present an application of benzenoid hydrocarbons to elucidate the significance of temperature indices.</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":"16 13-14","pages":"5273 - 5283"},"PeriodicalIF":2.8000,"publicationDate":"2024-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Silicon","FirstCategoryId":"88","ListUrlMain":"https://link.springer.com/article/10.1007/s12633-024-03081-x","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
The molecular graph of a chemical compound can be measured using a topological index, which helps us to understand its physical and chemical characteristics. Topological indices play a crucial role in characterizing the different chemical properties of substances, such as \(SiO_{4}\), within the field of chemical graph theory. \(SiO_{4}\) is an important compound owing to its versatility, accessibility, and quantifiability. In this study, we developed the methodology for calculating various temperature indices for a linear molecular graph of \(SiO_{4}\). We compare and find the correlation of temperature indices of silicate chain. In the last section of the paper, we present an application of benzenoid hydrocarbons to elucidate the significance of temperature indices.
期刊介绍：
The journal Silicon is intended to serve all those involved in studying the role of silicon as an enabling element in materials science. There are no restrictions on disciplinary boundaries provided the focus is on silicon-based materials or adds significantly to the understanding of such materials. Accordingly, such contributions are welcome in the areas of inorganic and organic chemistry, physics, biology, engineering, nanoscience, environmental science, electronics and optoelectronics, and modeling and theory. Relevant silicon-based materials include, but are not limited to, semiconductors, polymers, composites, ceramics, glasses, coatings, resins, composites, small molecules, and thin films.
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