Primitive model electrolytes. I. Grand canonical Monte Carlo computations
- 1 June 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 72 (11), 5935-5941
- https://doi.org/10.1063/1.439092
Abstract
Monte Carlo calculations in the grand canonical ensemble are described for coulombic systems, and carried out for 1:1, 2:2, 2:1, and 3:1 aqueous electrolytes in the primitive model with equal ion sizes. Energies and activity coefficients are obtained, and the scope and reliability of the method is discussed.Keywords
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