Liquid heat capacity in the approach from the solid state: anharmonic theory

TL;DR

This paper develops an anharmonic theoretical approach to calculate the heat capacity of liquids from solid-state principles, achieving good agreement with experimental data without free parameters.

Contribution

It introduces a novel method that incorporates anharmonicity and thermal expansion to predict liquid heat capacity from solid-state concepts.

Findings

The theory accurately predicts heat capacities of five liquids.

Good agreement with experimental data without free fitting parameters.

Comparison shows advantages over previous models.

Abstract

Calculating liquid energy and heat capacity in general form is an open problem in condensed matter physics. We develop a recent approach to liquids from the solid state by accounting for the contribution of anharmonicity and thermal expansion to liquid energy and heat capacity. We subsequently compare theoretical predictions to the experiments results of 5 commonly discussed liquids, and find a good agreement with no free fitting parameters. We discuss and compare the proposed theory to previous approaches.