Abstract
By means of computer simulations, the effect of varying anion to cation size ratio on the liquid–solid transition and on the thermal hysteresis behavior of a model ionic liquid is investigated. Constant pressure molecular dynamics simulations are carried out by considering different values of anion to cation size ratios at the same number density and 1 atm pressure. In this study, we find that changing ion size ratio affects the solidification or melting temperatures, latent heat, of the model ionic liquid. Within the considered range of anion to cation size ratios, solidification/melting temperature as well as area of thermal hysteresis loop decreases with increasing size ratio and thus illustrates the possibility to fine tune thermal hysteresis loop, which is relevant for phase change materials based thermal energy storage applications.
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