Impact of size, shape and dimension on melting entropy and enthalpy in nanomaterials

In the present study, a comparative study of thermodynamic properties of nanomaterials, i.e. melting entropy and melting enthalpy is done to analyze the size, shape and dimension effect on them. The models used for the study are Qi model, Guisbiers model and Liquid drop model. The relation of melting entropy and enthalpy are obtained using expression of cohesive energy. The trend of variation of melting entropy and enthalpy is found same. Below 5 nm our results are somewhat deviated but after this range calculated results are in good agreement with the experimental and stimulated data. Qi model is found best to determine the melting entropy whereas for melting enthalpy, Guisbiers model results are in good agreement with the compared experimental and simulated data.Melting entropy and enthalpy are determined for different shapes of nanomaterials using Qi model to see the impact of shape on these properties. (C) 2019 Elsevier Ltd. All rights reserved.