Prediction of sustainability performance of ionic liquids using a group contribution framework

About the Project

The versatility and wide range of applications of ionic liquids (ILs) offer industry with endless possibilities for sustainable innovation. However, one of the main barriers to a commercial uptake of ILs has been the lack of low-cost and experiment-free mechanisms for predicting simultaneously different sustainability aspects of ILs such as their environmental impacts and physical properties. Whilst the prediction of chemical/physical properties of ILs is already well established, this needs to be expanded to include sustainability metrics. For instance, group contribution methods and molecular modelling have been widely used by the scientific community to model physical properties of molecular systems, such as heat capacities, liquid densities, viscosity, etc., but no attempt has been made to correlate sustainability parameters of ionic liquids to create a group contribution approach to model their sustainability performance. Even though there is a direct connection between molecular structure and physical properties of ionic liquids, their environmental impacts are highly dependent on the reaction pathway and precursors needed, and consequently the associated raw materials and energy resources required for their synthesis. Thus, the aim of this project is to develop a group contribution framework for the prediction of chemical/physical properties and overall level of environmental sustainability of ionic liquids, from the chemical structure and environmental impacts of ionic liquids.

The development of environmental predictive sustainability models for different ionic liquid head groups will be carried out through a combination of molecular modelling, statistical methods and environmental sustainability tools such as life cycle assessment. The outputs of the project will aim to guide the ILs research community and industry to screen and select the most sustainable IL candidates at early development stages. Whilst the methodology will be applied to ionic liquids, it will be generic and applicable to different specialty chemicals.

Eligibility

Applicants should have or expect to achieve at least a 2.1 honours degree in Chemical Engineering, Chemistry, Material Science or any other related degree.

Funding

This 3.5 year project is for self funded students or those with external funding.

At Manchester we offer a range of scholarships, studentships and awards at university, faculty and department level, to support both UK and overseas postgraduate researchers applying for competition and self-funded projects.

For more information, visit our funding page or search our funding database for specific scholarships, studentships and awards you may be eligible for.

We recommend that you apply early as the advert will be removed once the position has been filled.

Before you apply

We strongly recommend that you contact the supervisors for this project before you apply. Please include details of your current level of study, academic background and any relevant experience and include a paragraph about your motivation to study this PhD project.

How to apply

Apply online through our website: https://uom.link/pgr-apply-2425

When applying, you’ll need to specify the full name of this project, the name of your supervisor, if you already having funding or if you wish to be considered for available funding through the university, details of your previous study, and names and contact details of two referees.

Your application will not be processed without all of the required documents submitted at the time of application, and we cannot accept responsibility for late or missed deadlines. Incomplete applications will not be considered.

After you have applied you will be asked to upload the following supporting documents:

• Final Transcript and certificates of all awarded university level qualifications
• Interim Transcript of any university level qualifications in progress
• CV
• Supporting statement: A one or two page statement outlining your motivation to pursue postgraduate research and why you want to undertake postgraduate research at Manchester, any relevant research or work experience, the key findings of your previous research experience, and techniques and skills you’ve developed. (This is mandatory for all applicants and the application will be put on hold without it).
• Contact details for two referees (please make sure that the contact email you provide is an official university/work email address as we may need to verify the reference)
• English Language certificate (if applicable)

If you have any questions about making an application, please contact our admissions team by emailing FSE.doctoralacademy.admissions@manchester.ac.uk.