Equilibrium isotope effects in aqueous environment

Water is without a doubt the most studied chemical compound. Nonetheless, because water is at the center of all biological and many geological processes and because it has uncommon physical and chemical properties, there is always more to discover about it. Here we aim to understand how water affects isotopic equilibria in gases containing methane, carbon dioxide, hydrogen, etc. – all ubiquitous in geology. This is crucial for geochemical applications, as isotopic content of samples is routinely used to pinpoint the origin and the mechanism of formation of natural samples. In collaboration with quantum chemists from Tufts and experimental geochemists from Berkeley, we have already developed a robust framework for predicting these for gaseous molecules.

In order to broaden the scope and impact of our research, we seek expertise in modeling complex many-body effects from the theoretical and computational physics group from lead by Prof. Sakhnyuk at the Volyn National University in Lutsk, Ukraine. The intern, Dmytro Skorubskyi, guided by Prof. Korol will utilize his background in theoretical and computational physics to overcome the challenges of simulating such a complex environment as liquid water. The interdisciplinary and inter-continental connection will thus be established.

Faculty Supervisor:

Roman Korol

Student:

Partner:

Lesya Ukrainka Volyn National University

Discipline:

Physics

Sector:

Education

University:

Université de Sherbrooke

Program: