Related Experiment Video
Updated: Jun 27, 2026

Determination of Thermodynamic Properties of Alkaline Earth-liquid Metal Alloys Using the Electromotive Force Technique
Published on: November 3, 2017
A comparison of methods to predict solid phase heats of formation of molecular energetic salts
Edward F C Byrd1, Betsy M Rice
1U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005-5069, USA.
Abstract:
In this study a variety of methods were used to compute the energies for lattice enthalpies and gas phase heats of formation of the ionic constituents used in Born-Fajans-Haber cycles to produce solid phase heats of formation of molecular ionic energetic crystals. Several quantum mechanically based or empirical approaches to calculate either the heat of formation of the ionic constituents in the gas phase (deltaH(o)f(g)) or the lattice enthalpy (deltaH(o)Lattice) were evaluated. Solid phase heats of formation calculated from combinations of deltaH(o)f(g) and deltaH(o)Lattice determined through various approaches are compared with experimental values for a series of molecular energetic salts with 1:1, 2:1 and 2:2 charge ratios. Recommendations for combinations of deltaH(o)f(g) and deltaH(o)Lattice to produce best agreement with experiment are given, along with suggestions for improvements of the methods.
Related Concept Videos
The Born-Haber Cycle
Standard Enthalpy of Formation
Aqueous Solutions and Heats of Hydration
When ionic compounds dissolve in water, the ions in the solid separate and disperse uniformly throughout the solution because water molecules surround and solvate the ions, reducing the strong electrostatic forces between them. This process...
Molecular and Ionic Solids
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
Phase Transitions: Melting and Freezing
Enthalpies of Reaction

