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The JESS software package, which is a widely-used tool for modelling chemical speciation in complex aqueous environments, has been extended to allow comprehensive predictions of physicochemical properties for strong electrolytes in aqueous solution. Another large database, this time of physicochemical property data, has been added to the JESS suite, along with the computational methods which automatically...
Considerable difficulties persist in modelling the thermodynamics of multicomponent aqueous electrolyte solutions, especially at high concentrations. The widely adopted Pitzer formalism suffers from severe disadvantages, particularly with the combinatorial increase in mixing parameters required in multicomponent systems. As an alternative, the simple mixing rules of Young, of Harned and of Zdanovskii...
27 Al NMR and Raman spectra of alkaline aluminate solutions with 0.005M≤[Al(III)] T ≤3M in various M′OH solutions (M′ + =Na + , K + and Li + ) were recorded and analysed. Caustic concentrations up to 20M were used to explore whether higher aluminium hydroxo complexes are formed at extremely high concentrations of hydroxide. A single peak was observed on...
Calculation and reporting procedures are described, which aim to improve the quality and comparability of published formation constant values obtained by glass-electrode potentiometry. Ways in which the processing of data by computer optimization programs can be standardized are the main concern, particularly in respect of improving the usefulness of equilibrium data through incorporation into large...
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