Predicting Deliquescence Relative Humidities of Crystals and Crystal Mixtures
The presence of water in the form of relative humidity (RH) may lead to deliquescence of crystalline components above a certain RH, the deliquescence RH (DRH). Knowing the DRH values is essential, e.g., for the agrochemical industry, food industry, and pharmaceutical industry to identify stability w...
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| Format: | Article |
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MDPI AG
2021-05-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/26/11/3176 |
| _version_ | 1797532598587621376 |
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| author | Heiner Veith Christian Luebbert Gabriele Sadowski |
| author_facet | Heiner Veith Christian Luebbert Gabriele Sadowski |
| author_sort | Heiner Veith |
| collection | DOAJ |
| description | The presence of water in the form of relative humidity (RH) may lead to deliquescence of crystalline components above a certain RH, the deliquescence RH (DRH). Knowing the DRH values is essential, e.g., for the agrochemical industry, food industry, and pharmaceutical industry to identify stability windows for their crystalline products. This work applies the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) to purely predict the DRH of single components (organic acids, sugars, artificial sweeteners, and amides) and multicomponent crystal mixtures thereof only based on aqueous solubility data of the pure components. The predicted DRH values very well agree with the experimental ones. In addition, the temperature influence on the DRH value could be successfully predicted with PC-SAFT. The DRH prediction also differentiates between formation of hydrates and anhydrates. PC-SAFT-predicted phase diagrams of hydrate-forming components illustrate the influence of additional components on the hydrate formation as a function of RH. The DRH prediction via PC-SAFT allows for the determining of the stability of crystals and crystal mixtures without the need for time-consuming experiments. |
| first_indexed | 2024-03-10T11:02:31Z |
| format | Article |
| id | doaj.art-7fbb24866cc84bc985c1f34364fea9bb |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T11:02:31Z |
| publishDate | 2021-05-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-7fbb24866cc84bc985c1f34364fea9bb2023-11-21T21:25:39ZengMDPI AGMolecules1420-30492021-05-012611317610.3390/molecules26113176Predicting Deliquescence Relative Humidities of Crystals and Crystal MixturesHeiner Veith0Christian Luebbert1Gabriele Sadowski2Laboratory of Thermodynamics, Department of Chemical and Biochemical Engineering, TU Dortmund University, Emil-Figge-Str. 70, D-44227 Dortmund, GermanyLaboratory of Thermodynamics, Department of Chemical and Biochemical Engineering, TU Dortmund University, Emil-Figge-Str. 70, D-44227 Dortmund, GermanyLaboratory of Thermodynamics, Department of Chemical and Biochemical Engineering, TU Dortmund University, Emil-Figge-Str. 70, D-44227 Dortmund, GermanyThe presence of water in the form of relative humidity (RH) may lead to deliquescence of crystalline components above a certain RH, the deliquescence RH (DRH). Knowing the DRH values is essential, e.g., for the agrochemical industry, food industry, and pharmaceutical industry to identify stability windows for their crystalline products. This work applies the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) to purely predict the DRH of single components (organic acids, sugars, artificial sweeteners, and amides) and multicomponent crystal mixtures thereof only based on aqueous solubility data of the pure components. The predicted DRH values very well agree with the experimental ones. In addition, the temperature influence on the DRH value could be successfully predicted with PC-SAFT. The DRH prediction also differentiates between formation of hydrates and anhydrates. PC-SAFT-predicted phase diagrams of hydrate-forming components illustrate the influence of additional components on the hydrate formation as a function of RH. The DRH prediction via PC-SAFT allows for the determining of the stability of crystals and crystal mixtures without the need for time-consuming experiments.https://www.mdpi.com/1420-3049/26/11/3176crystalcrystal mixturevapor sorptiondeliquescencePC-SAFTthermodynamics |
| spellingShingle | Heiner Veith Christian Luebbert Gabriele Sadowski Predicting Deliquescence Relative Humidities of Crystals and Crystal Mixtures Molecules crystal crystal mixture vapor sorption deliquescence PC-SAFT thermodynamics |
| title | Predicting Deliquescence Relative Humidities of Crystals and Crystal Mixtures |
| title_full | Predicting Deliquescence Relative Humidities of Crystals and Crystal Mixtures |
| title_fullStr | Predicting Deliquescence Relative Humidities of Crystals and Crystal Mixtures |
| title_full_unstemmed | Predicting Deliquescence Relative Humidities of Crystals and Crystal Mixtures |
| title_short | Predicting Deliquescence Relative Humidities of Crystals and Crystal Mixtures |
| title_sort | predicting deliquescence relative humidities of crystals and crystal mixtures |
| topic | crystal crystal mixture vapor sorption deliquescence PC-SAFT thermodynamics |
| url | https://www.mdpi.com/1420-3049/26/11/3176 |
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