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On physical analysis of entropy measures for sodium oxide via statistical models

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY(2024)

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摘要
This study delves into a comprehensive physical analysis of entropy measures applied to sodium oxide Na2O. A key idea in information theory and thermodynamics, entropy is essential to comprehending the stability of a system. The study clarifies the intricate relationships and physical properties of Na2O by combining theoretical analysis with statistical methods, providing important knowledge for material design and industrial operations. In a chemical graph, atoms are shown by vertices while their bonding are illustrated by edges. Sodium oxide is a major contributor to manufacture glass, it also has potential applications in CO2 sequestration, transparent materials, biomedical devices and nano grating glass. A topological index is a relationship between the molecular graph and its topology. We have computed various graph entropies based on different topological indices of chemical graph of sodium oxide. Further we have integrated these graph entropies with distinct thermodynamical measures of sodium oxide by developing mathematical models between both quantities. We have developed these mathematical frameworks in MATLAB. All the models are selected relying on the least mean squared error or sum of squared error. This study delves into a comprehensive physical analysis of entropy measures applied to sodium oxide. A key idea in information theory and thermodynamics, entropy is essential to comprehending the stability of a system. The study clarifies the intricate relationships and physical properties of by combining theoretical analysis with statistical methods, providing important knowledge for material design and industrial operations. In a chemical graph, atoms are shown by vertices while their bonding are illustrated by edges. Sodium oxide is a major contributor to manufacture glass, it also has potential applications in Copper Oxide sequestration, transparent materials, biomedical devices, and Nano grating glass. A topological index is a relationship between the molecular graph and its topology. We have computed various graph entropies based on different topological indices of chemical graph of sodium oxide. Further we have integrated these graph entropies with distinct thermodynamically measures of sodium oxide by developing mathematical models between both quantities. We have developed these mathematical frameworks in MATLAB. image
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关键词
curve fitting,entropy,heat of formation,mathematical model,sodium oxide,statistical test,topological index
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