Comparative Study of Certain Synthetic Polymers via Bond-Additive Invariants
Polymers, like vulcanized rubber, bakelite, and poly-methyl methacrylate (PMMA), are widely utilized as denture based materials, and their prominence has been nothing short of excellent. Recently, Ahmad <italic>et al.</italic> [Open Chemistry 17(2019): 663-670] computed bond-additive inv...
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| Format: | Article |
| Language: | English |
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IEEE
2021-01-01
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| Series: | IEEE Access |
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| Online Access: | https://ieeexplore.ieee.org/document/9326295/ |
| _version_ | 1811210774287220736 |
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| author | Maqsood Ahmad Muhammad Saeed Muhammad Javaid |
| author_facet | Maqsood Ahmad Muhammad Saeed Muhammad Javaid |
| author_sort | Maqsood Ahmad |
| collection | DOAJ |
| description | Polymers, like vulcanized rubber, bakelite, and poly-methyl methacrylate (PMMA), are widely utilized as denture based materials, and their prominence has been nothing short of excellent. Recently, Ahmad <italic>et al.</italic> [Open Chemistry 17(2019): 663-670] computed bond-additive invariants (BAIs) for the molecular graph of bakelite. In the same paper, they proposed the comparative study of the aforementioned-polymers using BAIs. This paper develops molecular graphs of vulcanized rubber and PMMA to estimate <italic>M-Polynomial</italic> and the generalized Zagreb index. We derive numerous BAIs such as the first and the second Zagreb, Re-defined Zagreb, general Randić, first general Zagreb, and symmetric division degree invariants from the generalized Zagreb index. Moreover, we obtain the modified second Zagreb, inverse Randić, harmonic, inverse sum, and augmented Zagreb invariants from the <italic>M-Polynomials</italic>. Besides, we compute the atom bond connectivity, its fourth version <inline-formula> <tex-math notation="LaTeX">$ABC_{4}$ </tex-math></inline-formula>, the geometric arithmetic, its fifth version <inline-formula> <tex-math notation="LaTeX">$GA_{5}$ </tex-math></inline-formula>, and the Sanskruti indices. Finally, we provide insight into the numerical comparison among several BAIs to establish a relation for the underlying polymers’ various physicochemical properties. |
| first_indexed | 2024-04-12T05:00:05Z |
| format | Article |
| id | doaj.art-5ca0aaeb302447e08e5e04207358c185 |
| institution | Directory Open Access Journal |
| issn | 2169-3536 |
| language | English |
| last_indexed | 2024-04-12T05:00:05Z |
| publishDate | 2021-01-01 |
| publisher | IEEE |
| record_format | Article |
| series | IEEE Access |
| spelling | doaj.art-5ca0aaeb302447e08e5e04207358c1852022-12-22T03:47:00ZengIEEEIEEE Access2169-35362021-01-019153881540310.1109/ACCESS.2021.30519329326295Comparative Study of Certain Synthetic Polymers via Bond-Additive InvariantsMaqsood Ahmad0https://orcid.org/0000-0002-6858-3244Muhammad Saeed1https://orcid.org/0000-0002-7284-6908Muhammad Javaid2https://orcid.org/0000-0001-7241-8172Department of Mathematics, School of Science, University of Management and Technology, Lahore, PakistanDepartment of Mathematics, School of Science, University of Management and Technology, Lahore, PakistanDepartment of Mathematics, School of Science, University of Management and Technology, Lahore, PakistanPolymers, like vulcanized rubber, bakelite, and poly-methyl methacrylate (PMMA), are widely utilized as denture based materials, and their prominence has been nothing short of excellent. Recently, Ahmad <italic>et al.</italic> [Open Chemistry 17(2019): 663-670] computed bond-additive invariants (BAIs) for the molecular graph of bakelite. In the same paper, they proposed the comparative study of the aforementioned-polymers using BAIs. This paper develops molecular graphs of vulcanized rubber and PMMA to estimate <italic>M-Polynomial</italic> and the generalized Zagreb index. We derive numerous BAIs such as the first and the second Zagreb, Re-defined Zagreb, general Randić, first general Zagreb, and symmetric division degree invariants from the generalized Zagreb index. Moreover, we obtain the modified second Zagreb, inverse Randić, harmonic, inverse sum, and augmented Zagreb invariants from the <italic>M-Polynomials</italic>. Besides, we compute the atom bond connectivity, its fourth version <inline-formula> <tex-math notation="LaTeX">$ABC_{4}$ </tex-math></inline-formula>, the geometric arithmetic, its fifth version <inline-formula> <tex-math notation="LaTeX">$GA_{5}$ </tex-math></inline-formula>, and the Sanskruti indices. Finally, we provide insight into the numerical comparison among several BAIs to establish a relation for the underlying polymers’ various physicochemical properties.https://ieeexplore.ieee.org/document/9326295/Bond-additive invariantsdenture based materialsmolecular descriptorsmolecular graphsQSAR/QSPRsynthetic polymers |
| spellingShingle | Maqsood Ahmad Muhammad Saeed Muhammad Javaid Comparative Study of Certain Synthetic Polymers via Bond-Additive Invariants IEEE Access Bond-additive invariants denture based materials molecular descriptors molecular graphs QSAR/QSPR synthetic polymers |
| title | Comparative Study of Certain Synthetic Polymers via Bond-Additive Invariants |
| title_full | Comparative Study of Certain Synthetic Polymers via Bond-Additive Invariants |
| title_fullStr | Comparative Study of Certain Synthetic Polymers via Bond-Additive Invariants |
| title_full_unstemmed | Comparative Study of Certain Synthetic Polymers via Bond-Additive Invariants |
| title_short | Comparative Study of Certain Synthetic Polymers via Bond-Additive Invariants |
| title_sort | comparative study of certain synthetic polymers via bond additive invariants |
| topic | Bond-additive invariants denture based materials molecular descriptors molecular graphs QSAR/QSPR synthetic polymers |
| url | https://ieeexplore.ieee.org/document/9326295/ |
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