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Issue 7, 2014

Absolute thermodynamic properties of molten salts using the two-phase thermodynamic (2PT) superpositioning method

Author affiliations

Abstract

We show that the absolute thermodynamic properties of molten salts (mixtures of KCl and LiCl) can be accurately determined from the two-phase thermodynamic (2PT) method that is based on superpositioning of solid-like and gas-like (hard-sphere) vibrational density of states (DoS). The 2PT predictions are in excellent accordance with those from the thermodynamic integration method; the melting point of KCl evaluated from the free energy and the absolute entropy shows close conformity with the experimental/NIST data. The DoS partitioning shows that the Li+ ions in the eutectic LiCl–KCl molten mixture are largely solid-like, unlike the K+ and Cl ions, which have a significant gas-like contribution, for temperatures ranging from 773 K to 1300 K. The solid-like states of the Li+ ions may have practical implications when employed for chemical and nuclear reprocessing applications.

Graphical abstract: Absolute thermodynamic properties of molten salts using the two-phase thermodynamic (2PT) superpositioning method

Article information


Submitted
25 Jun 2013
Accepted
28 Oct 2013
First published
07 Jan 2014

Phys. Chem. Chem. Phys., 2014,16, 3062-3069
Article type
Paper

Absolute thermodynamic properties of molten salts using the two-phase thermodynamic (2PT) superpositioning method

J. Wang, B. Chakraborty and J. Eapen, Phys. Chem. Chem. Phys., 2014, 16, 3062 DOI: 10.1039/C3CP52632A

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