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