Density functional theory applyed to vibrational dynamics of crystals of ionic sys...
Studying the dynamics of glass forming ionic liquids by neutron and X-ray scattering
| Grant number: | 15/05803-0 |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |
| Start date: | August 01, 2015 |
| End date: | July 31, 2018 |
| Field of knowledge: | Physical Sciences and Mathematics - Chemistry - Physical-Chemistry |
| Agreement: | Coordination of Improvement of Higher Education Personnel (CAPES) |
| Principal Investigator: | Mauro Carlos Costa Ribeiro |
| Grantee: | Luiz Felipe de Oliveira Faria |
| Host Institution: | Instituto de Química (IQ). Universidade de São Paulo (USP). São Paulo , SP, Brazil |
| Associated research grant: | 12/13119-3 - Vibrational spectroscopy in condensed phases, AP.TEM |
Abstract The effect of applied pressure in spectroscopy of liquid allows unravelling the repulsive and attractive contributions to the intermolecular potential and to access phase transitions as the counterpart of temperature effects. In our group at IQ-USP we have investigated phase transitions of ionic liquids, either as a function of temperature or pressure, by Raman spectroscopy. In this pos-doc work, we intend to extend this research by using X-ray scattering spectroscopy in order to provide further information to those available by Raman spectroscopy, in particular within the low-frequency range of the Raman spectra of the liquid and crystalline phases or the super-cooled liquid and glass. The ionic liquids to be studied in this work exhibit a rich phenomenology of phase transitions, as crystalline or glassy phases are obtained depending on the rate of changing temperature or pressure. Furthermore, these systems exhibit crystal polymorphism and the metastable liquid, either the supercooled liquid or at high pressure, undergo crystallization as the constraint is released. X-ray diffraction spectra as a function of temperature will be performed in collaboration with Prof. Carlos M. Giles A. de Mayolo, at the Laboratório de Cristalografia Aplicada e Raios-X, UNICAMP. However, X-rays measurements in a diamond anvil cell need a high intensity light source, so that we intend to use the XDS beamline of the Laboratório Nacional de Luz Síncroton (LNLS), which has been granted with funding from FAPESP for experiments under high pressure. Molecular dynamics simulations will provide further data on local ionic arrangement in the ionic liquids. (AU) | |
| News published in Agência FAPESP Newsletter about the scholarship: | |
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