CO2 Capture by Molecular Simulation in Novel Solvents

This project uses computer-based molecular simulations to determine physical and chemical properties of a class of molecules known as alkanolamines dissolved in water designed to absorb carbon dioxide from industrial exit streams. These properties are important in helping select individual alkanolamines to be used as solvents in post-combustion carbon capture and sequestration (CCS). CCS is a process that removes carbon dioxide from the emissions of factories, refineries, coal and cement plants via reactive absorption in specialized solvents. The solvent is then reheated with steam to strip the carbon dioxide from the solvent. The solvent can be reused for further sequestration, and pure carbon dioxide is recovered, which can then be safely stored or used for other applications. The ultimate goal is to identify solvents which are both effective at removing carbon dioxide from emissions while remaining an economically viable option for large-scale application.

Faculty Supervisor:

William Smith

Student:

Partner:

Université Clermont Auvergne

Discipline:

Physics

Sector:

Education

University:

University of Guelph

Program: