Published January 1972
| public
Journal Article
A numerical method for computing equilibriums in aqueous chemical systems
- Creators
-
Morel, Francois
- Morgan, James
Abstract
A general purpose computer program especially adapted to the study of acid-base and coordinative interactions and dissolution and precipitation in aqueous systems has been developed. The program uses the stability constant approach and the Newton-Raphson method for digital computation of equilibria. It is able to handle numerous species and to find the equilibrium set of solids. Gas phases are considered to be at constant partial pressures. The method is explained by use of the aqueous iron(III)-calcium-carbonate-phosphate system as an example. An application of the program to a system of 788 soluble species, 83 possible solids, and one gas-phase component is given as an illustration.
Additional Information
© 1972 American Chemical Society. Received for review Nov. 25, 1970. Accepted March 14, 1971. This work was supported in part by a grant from the Gulf Oil Corp. We thank Russell E. McDuff for help in making the computations.Additional details
- Eprint ID
- 106890
- Resolver ID
- CaltechAUTHORS:20201202-154044372
- Gulf Oil Corporation
- Created
-
2020-12-03Created from EPrint's datestamp field
- Updated
-
2021-11-16Created from EPrint's last_modified field