Selection of Cations for Ambient Temperature Chloroaluminate Molten Salts Using MNDO Molecular Orbital Calculations
Abstract
Mixtures of aluminum chloride and some organic chloride salts form new salts that are liquid at room temperature. The properties of the organic salt often have a large effect on the physical and electrochemical properties of the melts. A method is described for predicting the reduction potentials for a variety of organic cations that might be candidates to form low melting mixtures with aluminum chloride. The method involves calculation of lowest unoccupied molecular orbital energies for cations and estimations of half-wave reduction potentials. Comparisons of predicted and measured potentials are made.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 01, 1982
- Accession Number
- ADA111651
Entities
People
- Charles L. Hussey
- John S. Wilkes
Organizations
- Air Force Research Laboratory