<p>The molecular graph of a chemical substance can be quantified using entropy, which aids in comprehending its physical and chemical properties. Entropies are essential for delineating the many chemical properties of substances, such as <InlineEquation ID="IEq1"> <EquationSource Format="TEX">\(SiO_{4}\)</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <mi>S</mi> <mi>i</mi> <msub> <mi>O</mi> <mn>4</mn> </msub> </mrow> </math></EquationSource> </InlineEquation>, in chemical graph theory. The orthosilicate unit (<InlineEquation ID="IEq2"> <EquationSource Format="TEX">\([SiO_{4}]^{4-}\)</EquationSource> <EquationSource Format="MATHML"><math> <msup> <mrow> <mo stretchy="false">[</mo> <mi>S</mi> <mi>i</mi> <msub> <mi>O</mi> <mn>4</mn> </msub> <mo stretchy="false">]</mo> </mrow> <mrow> <mn>4</mn> <mo>-</mo> </mrow> </msup> </math></EquationSource> </InlineEquation>) is a pivotal structural component in silicate materials in crystalline chemistry due to its structural versatility; it is prevalent in naturally occurring silicate minerals, and the atomic structures of the compound are well comprehended concerning bond connectivity. The compound facilitates accurate representation of various structural motifs, rings, sheets, and three-dimensional configurations using graph-theoretical modeling techniques. This paper calculates the first Zagreb temperature entropy, the second Zagreb temperature entropy, the sum-connectivity temperature entropy, and the product-connectivity temperature entropy of the silicate chain network. We examine the correlation between the temperature entropies of the silicate network. We also discuss and contrast various regression models, including linear, polynomial, logarithmic, and exponential regression models.</p>

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Temperature Entropies of Silicate Chain Network and their Relationships

  • Jian Zhong Xu,
  • Muhammad Arslan,
  • Mehwish Rasheed,
  • Fairouz Tchier,
  • Qurrat-Ul-Ain,
  • Zaryab Hussain

摘要

The molecular graph of a chemical substance can be quantified using entropy, which aids in comprehending its physical and chemical properties. Entropies are essential for delineating the many chemical properties of substances, such as \(SiO_{4}\) S i O 4 , in chemical graph theory. The orthosilicate unit ( \([SiO_{4}]^{4-}\) [ S i O 4 ] 4 - ) is a pivotal structural component in silicate materials in crystalline chemistry due to its structural versatility; it is prevalent in naturally occurring silicate minerals, and the atomic structures of the compound are well comprehended concerning bond connectivity. The compound facilitates accurate representation of various structural motifs, rings, sheets, and three-dimensional configurations using graph-theoretical modeling techniques. This paper calculates the first Zagreb temperature entropy, the second Zagreb temperature entropy, the sum-connectivity temperature entropy, and the product-connectivity temperature entropy of the silicate chain network. We examine the correlation between the temperature entropies of the silicate network. We also discuss and contrast various regression models, including linear, polynomial, logarithmic, and exponential regression models.