论硅酸盐温度指数的计算及其预测碳氢化合物沸点的强大潜力

IF 2.8 3区材料科学 Q3 CHEMISTRY, PHYSICAL Silicon Pub Date : 2024-07-04 DOI:10.1007/s12633-024-03081-x

Jian Zhong Xu, Zaryab Hussain, Fairouz Tchier, Ferdous Tawfiq

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引用次数: 0

摘要

使用拓扑指数可以测量化合物的分子图，这有助于我们了解其物理和化学特性。在化学图论领域，拓扑指数在表征物质（如 \(SiO_{4}\)）的不同化学特性方面起着至关重要的作用。\SiO_{4}/\)是一种重要的化合物，因为它具有多功能性、易获取性和可量化性。在这项研究中，我们开发了计算 \(SiO_{4}\) 线性分子图的各种温度指数的方法。我们比较并发现了硅酸盐链温度指数的相关性。在论文的最后一部分，我们介绍了苯碳氢化合物的应用，以阐明温度指数的意义。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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On the Computation of Temperature Indices of Silicates, with Strong Potential to Predict the Boiling Point of Hydrocarbons

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.

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来源期刊

Silicon CHEMISTRY, PHYSICAL-MATERIALS SCIENCE, MULTIDISCIPLINARY

CiteScore

5.90

自引率

20.60%

发文量

685

审稿时长

>12 weeks

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.