Modification of local and collective dynamics of water in perchlorate solution, induced by pressure and concentration
| Autor: | Roberto Righini, Marco Pagliai, Renato Torre, Roberto Bini, Andrea Lapini, P. Bartolini, Chiara Calvagna, Samuele Fanetti, Andrea Taschin |
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| Přispěvatelé: | Calvagna, C., Lapini, A., Taschin, A., Fanetti, S., Pagliai, M., Bartolini, P., Bini, R., Righini, R., Torre, R. |
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Work (thermodynamics)
Kerr effect Materials science 02 engineering and technology Water solutions 010402 general chemistry Sodium perchlorate 01 natural sciences Ion Perchlorate chemistry.chemical_compound Molecular dynamics High pressure Optical Kerr effect Ultrafast spectroscopy Water Water dynamics Materials Chemistry Physical and Theoretical Chemistry Spectroscopy Aqueous solution 021001 nanoscience & nanotechnology Condensed Matter Physics Atomic and Molecular Physics and Optics 0104 chemical sciences Electronic Optical and Magnetic Materials Solvation shell chemistry Chemical physics 0210 nano-technology |
| Zdroj: | Journal of molecular liquids 337 (2021): 116273-1–116273-14. doi:10.1016/j.molliq.2021.116273 info:cnr-pdr/source/autori:Calvagna C.; Lapini A.; Taschin A.; Fanetti S.; Pagliai M.; Bartolini P.; Bini R.; Righini R.; Torre R./titolo:Modification of local and collective dynamics of water in perchlorate solution, induced by pressure and concentration/doi:10.1016%2Fj.molliq.2021.116273/rivista:Journal of molecular liquids (Print)/anno:2021/pagina_da:116273-1/pagina_a:116273-14/intervallo_pagine:116273-1–116273-14/volume:337 |
| DOI: | 10.1016/j.molliq.2021.116273 |
| Popis: | The presence of ions induces perturbations in the water network, these structural and dynamic modifications can extent over space scales overcoming the local solvation shell: aqueous solutions of sodium perchlorate (NaClO4) are characterized by extended phenomena of structure breaking of the solvent network. The aim of the present work is the experimental investigation of the interplay between the local structural modifications induced by the perchlorate ions and the collective dynamical properties of the solvent. Ultrafast Optical Kerr Effect (OKE) and time resolved infrared absorption are the experimental techniques adopted: OKE is mostly sensitive to the collective properties of the sample, while transient IR provides access to local properties of the solvent. Classical Molecular Dynamics (MD) simulations support the analysis of the experimental results. All experiments and simulations are performed at room temperature, varying the concentrations (0–6 M) and varying the applied pressure (10−4–1.3 GPa). Experiments and computer simulations confirm that pressure and concentration have convergent effects on the water dynamics, due to the analogous modification of the short-range liquid structure that cancel some dynamical anomalies typical of pure water. Both local and collective dynamic observables point to structural properties as responsible for their peculiar pressure and concentration dependence. |
| Databáze: | OpenAIRE |
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