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Critical review on graph theory: Estimation of thermodynamic properties of liquid mixtures

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Abstract

The present work deals with a review on graph theory that has been utilized to estimate thermodynamic properties of binary and ternary liquid mixtures. Various topological indices have been used to describe the topology of the chemical species it presents. Elegance and versatility of connectivity parameters of third degree of molecules, 3ξ, of the various components (derived from their topology) of mixtures are used to estimate (i) existence of components in mixture as well as pure state along with the extent and nature of the interaction between the constituent molecules; (ii) excess molar volume, VE, excess isentropic compressibility, κ ES , excess molar enthalpy, HE, excess heat capacity, C EP , excess Gibb’s energy, GE of binary and ternary liquid mixtures. The present review reports the development of graph theory and its utilization for the determination of VE, κ ES , HE, C EP , GE of two/three component mixtures (components being non-polar, polar differing in size, shape, polarity and ionic liquids).

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Acknowledgements

V. K. Sharma, Dr. Sunita are grateful to Council of Scientific and Research (CSIR) for the award of Emeritus Scientist and Research Associate (Reference No. 21 (1061/18/EMR-II).

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  1. Department of Chemistry, M. D. University, Rohtak, Haryana, India

    Sunita Malik & V. K. Sharma

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  1. Sunita Malik
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Malik, S., Sharma, V.K. Critical review on graph theory: Estimation of thermodynamic properties of liquid mixtures. Korean J. Chem. Eng. 40, 2581–2601 (2023). https://doi.org/10.1007/s11814-023-1484-1

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