Held, Christoph and Tsurko, Elena N. and Neueder, Roland and Sadowski, Gabriele and Kunz, Werner (2016) Cation Effect on the Water Activity of Ternary (S)-Aminobutanedioic Acid Magnesium Salt Solutions at 298.15 and 310.15 K. JOURNAL OF CHEMICAL AND ENGINEERING DATA, 61 (9). pp. 3190-3199. ISSN 0021-9568,
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Vapor pressure osmometry was applied to the system aminomethanamidine hydrochloride (guanidinium hydrochloride, GndmCl) + (S)-aminobutanedioic acid hemimagnesium salt (magnesium l-aspartate, Mg-(L-Asp)(2)) + water for varying molalities of GndmCl and Mg-(L-Asp)(2) (m(Mg-(Asp)2) = 0.1, 0.2, and 0.3 mol/kg and m(GndmCl) = 0.11.2 mol/kg) at T = 298.15 and 310.15 K. From vapor pressure osmometry, activities of water, activity coefficients of water, and the corresponding osmotic coefficients of the mixtures Mg-(L-Asp)(2) + water and Mg-(L-Asp)(2) + GndmCl + water have been calculated, both being directly related to the chemical potentials of the different species and therefore to their Gibbs energy. Electrolyte perturbed-chain statistical associating fluid theory (ePC-SAFT) accounting for Coulomb and short-range (hard chain, dispersion, association) interactions was used to model the own experimental data of binary Mg-(L-Asp)(2) + water and ternary GndmCl + Mg-(L-Asp)(2) + water solutions. ePC-SAFT was further applied to model osmotic coefficients of NaGlu + KCl + water, NaGlu + NaCl + water, NaAsp + NaCl + water, NaAsp + KCl + water, aminoethanoic acid + NaNO3 + water, and aminoethanoic acid + NaSCN + water as well as thermodynamic properties of these solutions such as fugacity coefficients and activity coefficients of the mixture components. Without fitting any parameters to data of the ternary salt + aminoethanoic acid + water system, osmotic coefficients, phi, and activity coefficients of water, gamma(1), and aminoethanoic acid have been predicted, and phi and gamma(1) were in good agreement with the experimental data. In contrast, a negative binary interaction parameter k(ij) had to be introduced to model phi of ternary systems salt + amino acid salt + water in accurate agreement with the experimental data.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | DIRECTIONAL ATTRACTIVE FORCES; AQUEOUS-ELECTROLYTE SOLUTIONS; ACTIVITY-COEFFICIENTS; OSMOTIC COEFFICIENTS; GUANIDINIUM CHLORIDE; IONIC INTERACTIONS; AMINO-ACIDS; THERMODYNAMIC PROPERTIES; HYDROCHLORIDE SOLUTIONS; VAPOR-PRESSURES; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) > Prof. Dr. Werner Kunz |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 03 Apr 2019 12:55 |
| Last Modified: | 03 Apr 2019 12:55 |
| URI: | https://pred.uni-regensburg.de/id/eprint/3343 |
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