Thermoelasticity of geologically relevant silica phases (SiO2)

• Grant number: 24/17564-9
• Support Opportunities: Scholarships abroad - Research Internship - Post-doctor
• Start date: January 01, 2025
• End date: December 31, 2025
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Caetano Rodrigues Miranda
• Grantee: Jéssica Santos Rego
• Supervisor: Renata Maria Mattosinho Wentzcovitch
• Host Institution: Instituto de Física (IF). Universidade de São Paulo (USP). São Paulo , SP, Brazil
• Institution abroad: Columbia University in the City of New York, United States
• Associated to the scholarship: 22/08894-0 - Multiscale modeling of reactive transport and CO2 mineral trapping mechanisms at the Rio Bonito geological formation, BP.PD

Abstract

The need for geological storage technology is crucial for a sustainable future, particularly in the context of carbon capture and storage (CCS) initiatives. Given its unique composition and physicochemical properties, the Rio Bonito Formation (South America, Paraná Basin) presents a huge potential for CO2 storage via mineralcarbonation. The Research Centre for Greenhouse Gas Innovation (RCGI) at USP proposes a multiscale computational-experimental framework that thoroughly describes the Rio Bonito Fm concerning mineral carbonation, limit models, and economics. It thus will support decision-making, allowing the efficient implementation of a pilot geological sequestration site. However, implementing this technology poses significant challenges, especially concerning long-term safety and monitoring. Minerals' elastic and seismic properties are crucial to understanding geological formation transformations during CO2 injection. This proposal project aims to gain expertise in the necessary techniques to address these challenges, focusing on the thermoelasticproperties of silica polymorphs under extreme conditions. By employing ab initio molecular dynamics simulations, we will explore the behavior of these minerals in high-pressure environments, which is essential forassessing their stability and integrity over time. The project will be supervised by Prof. Dr. Renata Wentzcovitch at Columbia University (USA), an expert in ab initio calculations of the mechanical properties of minerals,ensuring a robust foundation for advancing our understanding of geological storage systems. Ultimately, this research will contribute to developing safer and more efficient geological storage technologies, paving the way for sustainable energy solutions.