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Comparative study of the Grüneisen parameter for 28 pure fluids.

The Grüneisen parameter γG is widely used for studying thermal properties of solids at high pressure and also has received increasing interest in different applications of non-ideal fluid dynamics. Because there is a lack of systematic studies of the Grüneisen parameter in the entire fluid region, this study aims to fill this gap. Grüneisen parameter data from molecular modelling and simulation are reported for 28 pure fluids and are compared with results calculated from fundamental equations of state that are based on extensive experimental data sets. We show that the Grüneisen parameter follows a general density-temperature trend and characterize the fluid systems by specifying a span of minimum and maximum values of γG. Exceptions to this trend can be found for water.