共 41 条
Comparative Study of Certain Synthetic Polymers via Bond-Additive Invariants
被引:2
|作者:
Ahmad, Maqsood
[1
,2
]
Saeed, Muhammad
[1
]
Javaid, Muhammad
[1
]
机构:
[1] Univ Management & Technol, Sch Sci, Dept Math, Lahore 54770, Pakistan
[2] COMSATS Univ Islamabad Lahore, Dept Math, Lahore 54000, Pakistan
来源:
关键词:
Indexes;
Plastics;
Rubber;
Chemicals;
Polymers;
Chemical compounds;
Licenses;
Bond-additive invariants;
denture based materials;
molecular descriptors;
molecular graphs;
QSAR;
QSPR;
synthetic polymers;
CONNECTIVITY INDEX;
ZAGREB INDEX;
DESCRIPTORS;
GRAPHS;
ENERGY;
D O I:
10.1109/ACCESS.2021.3051932
中图分类号:
TP [自动化技术、计算机技术];
学科分类号:
0812 ;
摘要:
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 et al. [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 M-Polynomial and the generalized Zagreb index. We derive numerous BAIs such as the first and the second Zagreb, Re-defined Zagreb, general Randic, first general Zagreb, and symmetric division degree invariants from the generalized Zagreb index. Moreover, we obtain the modified second Zagreb, inverse Randic, harmonic, inverse sum, and augmented Zagreb invariants from the M-Polynomials. Besides, we compute the atom bond connectivity, its fourth version ABC(4), the geometric arithmetic, its fifth version GA(5), 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.
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页码:15388 / 15403
页数:16
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