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On physical analysis of free Gibb's energy based on topological indices for nickel sulfide

  • Feng Caicai
  • , Muhammad Farhan Hanif*
  • , Hasan Mahmood
  • , Mazhar Hussain
  • , Zohaib Saddique
  • *Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

Nickel sulfides are inorganic compounds of chalcogens and transition metals with formula of NiSx, where nickel is from 10th group and sulfur is from 16th group of periodic table. Topological indices play a key role in analyzing and understanding the topology of chemical compounds. In the chemical structure of any compound, atoms are considered as vertices, while the bounds between these atoms are edges. The purpose of this paper is to analyses the structure of nickel (II) sulfide. Moreover, we have computed the topological indices of molecular structure of nickel (II) sulfide. The regression models between the standard molar free Gibb's energy, specific heat and each topological index of nickel (II) sulfide for different formula units have been developed. The basic purpose of these regression models is to develop a relationship between free Gibb's energy GE, specific heat Cp and topological indices of nickel (II) sulfide. More preciously, we provided a new direction in this field of research to analysis the physio-chemical properties like Gibb's energy using the concept of chemical graph theory.

Original languageEnglish
Article number135117
JournalJournal of Molecular Structure
Volume1281
DOIs
StatePublished - 5 Jun 2023
Externally publishedYes

Bibliographical note

Publisher Copyright:
© 2023 Elsevier B.V.

Keywords

  • Free Gibb's energy
  • Nickel sulfide
  • Reverse ABC index
  • Reverse Zagreb type indices
  • Specific heat capacity
  • Topological indices

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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