Entropy Analysis of a Melamine-Based TriCF Structure Using r-degree Based Methods

Çiftçi İ.

15. Uluslararası Araştırmalar Kongresi (ICAR), 6 - 07 Mart 2025, ss.220-221, (Özet Bildiri)

  • Yayın Türü: Bildiri / Özet Bildiri
  • Sayfa Sayıları: ss.220-221
  • Van Yüzüncü Yıl Üniversitesi Adresli: Evet

Özet

Triazine-based covalent organic frameworks (TriCFs) were synthesized by combining melamine and cyanuric acid, a novel synthetic lubricant with high thermal stability and a layered structure. This study provides a comprehensive entropy analysis of three distinct TriCF structures using r-degree-based methods. The entropy evaluation is grounded in the r-degree concept, a topological descriptor used to characterize molecular structures. By comparing the entropies of the calculated TriCF structures with existing entropy values, we observed an exceptionally high correlation—approaching unity—between r-degree-based entropies and conventional topological indices reported in the literature. This strong correlation underscores

the reliability of r-degree-based entropy as a predictive tool in quantitative structure–property relationship (QSPR) studies. The findings suggest that r-degree-based entropy can serve as a robust parameter for analyzing the physiochemical properties of TriCF structures, potentially contributing to the development of new materials in nanotechnology, materials science, and pharmaceutical research.

Keywords: Triazine-Based Covalent Organic Frameworks, Entropy, R-Degree-Based Entropy, Topological İndices, Qspr Analysis