Study of the migration of fluid molecules and ions in multi-compartmental systems - an application of Relaxation Exchange NMR techniques

• Grant number: 23/18439-0
• Support Opportunities: Scholarships in Brazil - Master
• Start date: May 01, 2024
• End date: March 31, 2026
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Tito José Bonagamba
• Grantee: Nataly Melo Campos
• Host Institution: Instituto de Física de São Carlos (IFSC). Universidade de São Paulo (USP). São Carlos , SP, Brazil

Abstract

The project will involve the experimental and theoretical numerical-computational analysis of Relaxation Exchange NMR techniques, with emphasis on the T2-Filtered T2-T2 Exchange technique, applied in the study of the migration of fluid molecules and ions in multi-compartmental systems. These media often exhibit interconnected regions with varied characteristics, causing molecules and ions to experience different relaxation times when migrating from one region to another. An example of such systems is porous media, where the pores in carbonate samples range in size from nanometers to centimeters, allowing for the analysis of estimated exchange rates and CO2 storage capacity. Additionally, understanding fluid dynamics parameters related to molecular exchange between different sites in porous materials is relevant to various industries, such as the cement industry, including eco-friendly practices aimed at reducing CO2 production. Similarly, in the lithium battery industry, the molecular dynamics of employed polymeric electrolytes (typically polymer blends, also a multi-compartmental system) and the degree of lithium doping influence the dynamics of Li+ ions, affecting the sample's conductivity. Therefore, the proposal is to analyze the migration of molecules and ions in interconnected multi-compartmental systems experiencing different relaxation times, in order to obtain exchange rates and explore the relationship between this dynamic parameter and other medium constants such as permeability, porosity, conductivity, and surface relaxivity.