Molecular simulations of concentrated aqueous solutions: ionic equilibrium structures in solutions

Witold M. Bartczak; Michal Zapalowski; Krystyna Wolf

doi:10.1117/12.435813

10 August 2001 Molecular simulations of concentrated aqueous solutions: ionic equilibrium structures in solutions

Witold M. Bartczak, Michal Zapalowski, Krystyna Wolf

Proceedings Volume 4412, International Conference on Solid State Crystals 2000: Growth, Characterization, and Applications of Single Crystals; (2001) https://doi.org/10.1117/12.435813
Event: International Conference on Solid State Crystals 2000, 2000, Zakopane, Poland

Abstract

The computer simulation methods have been applied to study the structure of aqueous solutions of simple ionic salts in the region of very high concentrations. The calculations of ionic structures in solutions were performed for NaOH, NaCl, LiCl and MgCl₂ solutions. The concentrations ranged from 0.2M to saturated solutions, in some case as much as 19M.

Citation Download Citation

Witold M. Bartczak, Michal Zapalowski, and Krystyna Wolf "Molecular simulations of concentrated aqueous solutions: ionic equilibrium structures in solutions", Proc. SPIE 4412, International Conference on Solid State Crystals 2000: Growth, Characterization, and Applications of Single Crystals, (10 August 2001); https://doi.org/10.1117/12.435813

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