Molecular simulation of phase separation in amino acid carbon capture solutions

Recent research has shown that aqueous amino acid salts (AAS) are effective carbon capture solutions. They offer advantages over the usual amine-based carbon capture solutions due to their reduced toxicity, corrosivity, volatility and cost whilst also having good stability and high capacity.

Especially, it has been shown that some AAS solutions phase separate after absorbing CO2. Importantly, phase separating carbon capture solutions could lead to reduced regeneration energy penalties for carbon capture processes since the regenerate can easily be separated and has reduced water content. Thus, AAS solutions are promising candidates for both direct air capture (DAC) and post-combustion (PC) carbon capture processes.

Moreover, it is also known that some aqueous AA solutions exhibit microphase separation. Although the mechanism is currently unknown, this phenomenon is thought to be important in crystallization processes. It might also have implications for the origin of life since AAs and carbon dioxide are thought to be key ingredients of the primordial soup.

This project aims to understand the key driving forces that lead to both bulk and microphase separating AA and AAS solutions, especially for carbon capture processes. The successful student will use molecular simulations to model and understand this behaviour at the microscale.

It is expected that the applicant will have a good degree in Engineering, Physics, Chemistry, Mathematics, or any other related subject. We are particularly keen to hear from applicants who want to develop expertise in the molecular simulation of fluids. Prior experience in this area is useful but not a requirement.

The successful student, depending on eligibility, will have opportunities for teaching and further training with in the university, as well as participation in the intellectual community provided by the School of Engineering’s Institute for Materials and Processes, in which they will be based.

Further Information: 

The University of Edinburgh is committed to equality of opportunity for all its staff and students, and promotes a culture of inclusivity. Please see details here: https://www.ed.ac.uk/equality-diversity

Closing Date: 

Sunday, August 31, 2025

Principal Supervisor: 

Assistant Supervisor: 

TBC

Eligibility: 

Minimum entry qualification - an Honours degree at 2:1 or above (or International equivalent) in Engineering, Physics, Chemistry, Mathematics, or any other related subject possibly supported by an MSc Degree. Prior experience in molecular simulation of fluids is useful but not a requirement.

Further information on English language requirements for EU/Overseas applicants.

Funding: 

Applications are welcomed from self-funded students, or students who are applying for scholarships from the University of Edinburgh or elsewhere.

Further information and other funding options.

Informal Enquiries: 

Dr Martin Sweatman - Martin.Sweatman@ed.ac.uk