تقرير
Structural, Rheological and Dynamic Aspects of Hydrogen-Bonding Molecular Liquids: Aqueous Solutions of Hydrotropic tert-Butyl Alcohol
| العنوان: | Structural, Rheological and Dynamic Aspects of Hydrogen-Bonding Molecular Liquids: Aqueous Solutions of Hydrotropic tert-Butyl Alcohol |
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| المؤلفون: | Cerar, Jure, Jamnik, Andrej, Pethes, Ildikó, Temleitner, László, Pusztai, László, Tomsic, Matija |
| المصدر: | Journal of Colloid and Interface Science 560(2020) 730-742 |
| سنة النشر: | 2019 |
| المجموعة: | Condensed Matter |
| مصطلحات موضوعية: | Condensed Matter - Soft Condensed Matter |
| الوصف: | Hypothesis: The structural details, viscosity trends and dynamic phenomena in t-butanol/water solutions are closely related on the molecular scales across the entire composition range. Utilizing the experimental small- and wide-angle x-ray scattering (SWAXS) method, molecular dynamics (MD) simulations and the complemented-system approach method developed in our group it is possible to comprehensively describe the structure-viscosity-dynamics relationship in such structurally versatile hydrogen-bonded molecular liquids, as well as in similar, self-assembling systems with pronounced molecular and supramolecular structures at the intra-, inter-, and supra-molecular scales. Experiments: The SWAXS and x-ray diffraction experiments and MD simulations were performed for aqueous t-butanol solutions at 25 {\deg}C. Literature viscosity and self-diffusion data were also used. Findings: The interpretive power of the proposed scheme was demonstrated by the extensive and diverse results obtained for aqueous t-butanol solutions across the whole concentration range. Four composition ranges with qualitatively different structures and viscosity trends were revealed. The experimental and calculated zero-shear viscosities and molecular self-diffusion coefficients were successfully related to the corresponding structural details. The hydrogen bonds, that were, along with hydrophobic effects, recognized as the most important driving force for the formation of t-butanol aggregates, show intriguing lifetime trends and thermodynamic properties of their formation. Comment: Main manuscript file AND Supplemental Information, united in one file |
| نوع الوثيقة: | Working Paper |
| DOI: | 10.1016/j.jcis.2019.10.094 |
| URL الوصول: | http://arxiv.org/abs/1910.03699 |
| رقم الأكسشن: | edsarx.1910.03699 |
| قاعدة البيانات: | arXiv |
| DOI: | 10.1016/j.jcis.2019.10.094 |
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