Held, Christoph and Reschke, Thomas and Mueller, Rainer and Kunz, Werner and Sadowski, Gabriele (2014) Measuring and modeling aqueous electrolyte/amino-acid solutions with ePC-SAFT. JOURNAL OF CHEMICAL THERMODYNAMICS, 68. pp. 1-12. ISSN 0021-9614, 1096-3626
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In this work thermodynamic properties of electrolyte/amino acid/water solutions were measured and modeled. Osmotic coefficients at 298.15 K were measured by means of vapor-pressure osmometry. Amino-acid solubility at 298.15 K was determined gravimetrically. Considered aqueous systems contained one of the four amino acids: glycine, L-/DL-alanine, L-/DL-valine, and L-proline up to the respective amino-acid solubility limit and one of 13 salts composed of the ions Li+, Na+, K+, NH4+, Cl , Br, I , NO3 and SO42 at salt molalities of 0.5, 1.0, and 3.0 mol.kg(-1), respectively. The data show that the salt influence is more pronounced on osmotic coefficients than on amino-acid solubility. The electrolyte Perturbed-Chain Statistical Association Theory (ePC-SAFT) was applied to model thermodynamic properties in aqueous electrolyte/amino-acid solutions. In previous works, this model had been applied to binary salt/water and binary amino acid/water systems. Without fitting any additional parameters, osmotic coefficients and amino-acid solubility in the ternary electrolyte/amino acid/water systems could be predicted with overall deviations of 3.7% and 9.3%, respectively, compared to the experimental data. (C) 2013 Elsevier Ltd. All rights reserved.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ZWITTERIONIC AMINO-ACIDS; ACTIVITY-COEFFICIENTS; 298.15 K; THERMODYNAMIC PROPERTIES; OSMOTIC COEFFICIENTS; PERTURBATION-THEORY; WATER ACTIVITY; SOLUBILITY; EQUATION; GLYCINE; Osmotic coefficients; Solubility; Electrolyte solutions; Equation of state; ePC-SAFT; Salt influence |
| 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: | 04 Dec 2019 09:24 |
| Last Modified: | 04 Dec 2019 09:24 |
| URI: | https://pred.uni-regensburg.de/id/eprint/11149 |
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