Published July 1, 1980 | Version v1
Journal article

Dimensional model for the calculation of thermodynamic properties of gaseous molecules and ions

  • 1. Chemical Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439

Description

A dimensional analysis of the classical partition function for ionic molecules leads to simple universal relations for the calculation of nonelectronic entropies and free energy functions. The model is tested for a large number of species with different stoichiometries and degrees of ionicity (MX, MX2, M2X2, and ions MX/sup plus-or-minus1/). The success of these tests demonstrates the validity and usefulness of the model. Since the only quantities required for the calculation are the interatomic distance and atomic masses, this procedure can greatly simplify the calculation of these thermodynamic functions for an unknown species. As an illustration, calculated thermodynamic data are presented for the seven alkali halide dimers for which data are not available

Additional details

Publishing Information

Journal Title
J. Chem. Phys.
Journal Volume
73
Journal Issue
1
Series
J. Chem. Phys.
Journal Page Range
509-518
ISSN
0021-9606

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
11555863
Subject category
S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Descriptors DEI
ALKALI METAL COMPOUNDS; GASES; HALIDES; MATHEMATICAL MODELS; MOLECULAR IONS; MOLECULES; PARTITION FUNCTIONS; THERMODYNAMIC PROPERTIES
Descriptors DEC
CHARGED PARTICLES; FLUIDS; FUNCTIONS; HALOGEN COMPOUNDS; IONS; PHYSICAL PROPERTIES