While in a huge number of cases experimental determination of miscibility can be done very simply by a visual method, this project will be focused on the experimental investigation of miscibility in the systems in which the visual method fails to provide accurate information on the number of phases present in the system or when an inconsistency between results obtained using different methods was manifested. The following techniques will be employed to complement the understanding of underlying phenomena in the studied mixtures: refractive index, fluid phase equilibria, and light-scattering measurements, and simulation using COSMOTherm software.

The project outcome should put some light on the limitations of different techniques and call for caution in their applications.

Anticipated outcome:

Potential outcome could be a manuscript submitted to Journal of Chemical Education (ACS).

Project Duration:

12 weeks.

For more detail and to apply, please contact directly Dr Marijana Blessic (m.blesic@qub.ac.uk).

A major cost factor and limitation for the next generation of redox-flow batteries based on vanadium is the electrolyte, which is often the issue for the lower energy densities of VRBs in comparison to other battery types. By using new non-aqueous, ionic liquid-based formulations containing redox-stable ionic liquids containing a dispersion of nanoparticles, we can currently increase the vanadium concentration in the electrolyte.¹ An overall improvement of the vanadium concentration will lead to a significantly improved energy density that is currently one of the limitations of these redox-flow battery systems. In this project, we will further develop the electrolyte chemistries and characterise them. The electrolytes will then be electrochemically characterised and tested and evaluated in a redox flow cell.

Figure 1: Schematic view of a vanadium redox flow battery (left). Redox flow cell (right).

You will have the opportunity to work as a part of a research team and acquire a very broad set of skills:  advanced inorganic synthetic methods, combined with analytical techniques such as UV/Vis, IR/Raman, NMR, PXRD, single-crystal XRD as well as electron microscopy (SEM) for material characterisation. A student who likes coordination chemistry, nanomaterials and has an interest in (moderate) (in)organic synthesis would be ideal.

Reference: L. Bahadori, R. Boyd, A. Warrington, M.S. Shafeeyan, P. Nockemann, Evaluation of ionic liquids as electrolytes for vanadium redox flow batteries, J. Mol. Liq., 2020, 317, 114017.

Anticipated outcome:

This work follows up on a prevous project and aims to gather more data for finishing up a publication and is expected to result in an EPSRC grant application.

Duration (up to 12 weeks) and orientational dates:  

8 weeks

For more detail and to apply, please contact directly Prof Peter Nockemann (p.nockemann@qub.ac.uk)

3D printing is an emerging technique which offers the user the freedom of form and design and which can be easily used in a range of applications. The most common 3D printing techniques are fused deposition modeling (FDM) and stereolitography (SLA). Additive manufacturing can have applications on a number of chemical process unit operations including pumps, mixers, and reactors (P.A. Kozak, 2020). Many of the factors which determine the total performance of the mixer-settler with respect to size and separation are the same as those which affect the mass transfer performance of the mixer (A.D. Ryon, 1960). The mass transfer performance and phase separation operations are significantly affected by independent variables such as: mixer configuration, agitator speed, residence time in mixer, phase continuity, organic/aqueous ratio, specific settler flow, and settler configuration.

Figure 1: (a) CAD model of 3D printable mixer settler and (b) 3D printed mixer settler unit.

References: P. A. Kozak, P. Tkac, K. E. Wardle, M. A. Brown, G. F. Vandegrift, 2020. Demonstration of the MOEX Process Using Additive-Manufacturing-Fabricated Annular Centrifugal Contactors, Solvent Extraction and Ion Exchange; A.D. Ryon, F.L. Dley, R.S. Lowries, 1960. Design and scale-up of mixer-settlers for the dapex solvent extraction process.

Anticipated outcome:

This work follows up on a prevous project and aims to gather more data for finishing up a publication and is expected to lay the ground for a grant application.

Duration (up to 12 weeks) and orientational dates:  

8 weeks

For more detail and to apply, please contact directly Dr Oana Istrate (O.Istrate@qub.ac.uk)

This project will focus on the use of novel ionic liquids with metal anions (Cu, Fe, V) which will be used in conjunction with hydrogen peroxide as new catalytic systems for the formation of sulfoxides and sulfones.

Anticipated outcome:

The successful candidate will take part of the publication of a scientific paper.

Duration (up to 12 weeks) and orientational dates:  

10 weeks with starting date on 4^th July and ending in 9^th of September

For more detail and to apply, please contact directly Dr Peter Goodrich (P.Goodrich@qub.ac.uk)

To counter the issue in a more effective way the team at QUB wish to investigate a blocker wheel as shown below. At all times the solid parts of the wheel form a physical barrier that disconnects the flow and therefore the energy leakage path. The wheel rotates with the electrolyte flow during RFB use. The wheel does not generate pressure but will take energy to rotate it. The better the wheel is sealed the less energy leakage but the more pump energy is needed to turn the wheel. In that respect the top and bottom of the wheel will be solid and run on a O ring or labyrinth seal (not shown). It’s is hoped that a tight running tolerance will minimise the required operation torque and the thin film of electrolyte on the wheel surface will minimise the energy loss. The aim of the project is to design a series of wheel and test them using saline solution as a conductive electrolyte. The baseline case is no wheel. The project will look to 3 D print the wheel design in an experimental test housing. The wheel needs to minimise shunt current when the RFB is working (with flow) and when shut off.

This work will run alongside the multidisciplinary QUB team’s RFB research in four concurrent PhD’s and one CASE project. No known publications reference any work in this area, so highly novel. High potential IP for QUB and follow-up joint interdisciplinary EPSRC application.  

Project Duration: 8 weeks.

For more detail and to apply, please contact directly Dr Stephen Glover (s.glover@qub.ac.uk).

This PhD project aims to investigate and improve the electrode/electrolyte interface. The application of post-treatments of the carbon felts, using oxidative activation combined with surface-decoration with nano-electrocatalysts, is expected to yield significant improvements in the electrochemical reversibility and to lower activation overpotential, resulting in higher battery efficiency. The project aims to focus particularly on iron and vanadium-based electrolytes consisting of metal complexes with ligand systems that have so far not been investigated in terms of their electrode / electrolyte interactions. These chemically activated electrodes will be investigated using various in-situ, ex-situ and operando spectroscopic techniques (Raman, FTIR, XPS, EPR) to provide insight into the underlying activation mechanisms.

Work programme and objectives
The effects of degree of compression and treatment of the electrode materials will be investigated to improve the electrode/electrolyte interface and increase the power density of the redox flow batteries. This studentship will aim to establish the relationship between degree of compression, porosity, and electrolyte transport, as well as investigating the relationship between electrode treatment, permeability, and electrolyte transport. Different compression rates and treatments (e.g., chemical treatments and/or thermal treatments) will be investigated using a combination of electrochemical impedance spectrometry (EIS) and load curve measurements applied at different states of charge. The electrode / electrolyte interface of treated electrodes and carbon felts will be investigated under operando conditions by using complementary in-situ and ex-situ spectroscopic techniques (specifically Raman spectroscopy) and transmission electron microscopy (TEM), scanning electron microscopy (SEM) and micro-computed tomography (CT) techniques in bespoke 3D-printed cells.
The PhD student will work in close collaboration with the industrial partner (Shell) and will have the possibility to spend up to 6 months at the Shell Technology Centre Amsterdam (STCA), Netherlands (funded). The student will work there closely with a team of international redox flow battery experts and will have access to Shell’s high-end, state-of-the-art energy and lab facilities. The PhD student will present and discuss progress in monthly meetings with the academic supervisory team and a team of energy storage experts from Shell. These meetings will provide additional technical feedback and an industrial perspective to the research.

The ideal candidate should enjoy working in a multi-disciplinary field of energy storage that ranges from materials to chemistry and phyiscs. Team-working qualities, clear communication skills and the ability to learn and develop new techniques are key for a successful candidate. Co-supervisors for this project are Prof Peter Nockemann (CCE) and Dr Miryam Arredondo-Arechavala (MAP).

Funding Information

UK studentships - cover tuition fees and include a maintenance stipend of £17,668 per annum, together representing an investment in your education of more than £65,000.
A UK studentship is open to UK and ROI nationals, and to EU nationals with settled status in the UK, subject to meeting specific nationality and residency criteria.
DfE studentship eligibility information can be viewed at: https://www.economy-ni.gov.uk/publications/student-finance-postgraduate-studentships-terms-and-conditions
EPSRC studentship eligibility information can be viewed at: https://www.ukri.org/what-we-offer/developing-people-and-skills/esrc/funding-for-postgraduate-training-and-development/eligibility-for-studentship-funding/

International studentships, where available, will also cover tuition fees and include an equivalent maintenance stipend.

For more information please contact: Dr Oana Istrate (O.Istrate@qub.ac.uk)

Closing date for application: Monday, February 27, 2023

Apply Here.

This project aims to develop novel synthetic routes from ‘carbon dioxide to fuels’ utilising simple electro/photo-active molecular catalysts, such as quinones, which can rapidly transfer protons and electrons to carbon dioxide, mimicking the catalytic activity of photo-enzymes.

Training in all electrochemical, photochemical, and structural characterisation techniques necessary to complete the project will be provided. Candidates should have, or expect to achieve, a first or upper second-class honours degree or equivalent in chemistry or chemical engineering. It is recommended that interested students should contact Dr Paul Kavanagh to discuss the position in more detail before making a formal application.

For more information please contact: Dr Paul Kavanagh (P.Kavanagh@qub.ac.uk)

Closing date for application: Friday, February 24, 2023

Apply here.

The choice of electrolytes is a key factor in the costs, durability and sustainability of these batteries, and currently prohibits the wider implementation of this promising technology. Suitable, sustainable electrolytes must have a good balance between stability and solubility of the ions in the oxidation states involved, enable rapid and reversible electrode reactions and must consitst of compounds with high availability and affordability of raw materials. Chelation of metal complexes has demonstrated the ability to modulate redox potential and increase redox kinetics and solubility to generate high performance, low cost RFBs.

This PhD project will focus on the design and synthesis of chelating ligands, their complexation with earth abundant metals as redox couples as electrolytes for RFBs. Based on a proof-of-concept, and with the help of computational modelling (Density Functional Theory, DFT), a range of iron, cerium, manganese and vanadium redox couples with suitable potential difference and reversibility in charge/discharge experiments will be synthesised. According to the criteria for the electrolyte, these need to form stable solutions of abundant metals (Fe, Mn, Ce), using non-flammable, non-toxic solvents and complexing agents which result in high solubility and redox potentials in a suitable range.

By using new redox-couples containing redox-stable metal complexes consisting of earth-abundant metals such as iron, manganese or cerium, electrolytes with performances similar to vanadium but at lower costs can be synthesised. The intention is to explore new electrolyte chemistries and redox couples with non-vanadium chemistries. Thereby, a range of organic ligands will be designed assisted by computational methods (DFT calculations), and the redox potentials of the metal complexes will be determined, resulting in a ‘map’ of complex structures vs. redox potentials. In particular, iron, cerium and manganese and vanadium have redox potentials within the right margin which can form long-term stable complexes; however, the structure / property relationship regarding their electrochemical potential is currently not fully understood.  Introducing ligands can alter the redox potentials, and therefore the cell voltage of the RFB. The new electrolyte solutions will be characterised using electrochemical characterisation methods, ranging from CVs and EIS to the characterisation of the ion mobility in the electrolyte.

The PhD student will work in close collaboration with the industrial partner (Shell) and will have the possibility to spend up to 6 months at the Shell Technology Centre Amsterdam (STCA), Netherlands (funded). The student will work there closely with a team of international redox flow battery experts and will have access to Shell’s high-end, state-of-the-art energy and lab facilities. The PhD student will present and discuss progress in monthly meetings with the academic supervisory team and a team of energy storage experts from Shell. These meetings will provide additional technical feedback and an industrial perspective to the research.

The ideal candidate should enjoy working in a multi-disciplinary field of energy storage that ranges from inorganic chemistry, materials chemistry to analytical techniques. Team-working qualities, clear communication skills and the ability to learn and develop new techniques are key for a successful candidate.

For more information please contact: Professor Peter Nockemann (p.nockemann@qub.ac.uk) or Dr Oana Istrate (O.Istrate@qub.ac.uk)

Closing date for applicatio: Friday, February 24, 2023

Apply Here.

We have recently developed a 3D-printing platform to produce laboratory-scale RFB test cells, demonstrating leak tightness, chemical stability, and versatility with regards to cavity thickness and internal manifold design. Importantly, these cells have demonstrated, through rapid prototyping, improved performance versus a commercially available test cell. Common designs are flow-by and flow-through configurations, the latter of which is the industry standard and the focus of this study.

This PhD project aims to investigate redox electrolyte flow in bespoke miniaturised operando flow cells as a function of internal manifold, compression, flow rate and current density. Customised, high-fidelity 3D-printed cells have been shown to provide excellent leak tightness and chemical compatibility, and their polymeric structure and versatile design make them amenable to high throughput X-ray computed tomography experiments, as well as complementary operando spectroscopic techniques such as XPS, UV/Vis and Raman microscopy. This allows the impact of manifold design and compression on electrolyte utilisation in operating cells to be probed, a remaining challenge in the field towards increasing performance and lowering costs.

The effects of internal manifold design, particularly as a function of cell compression, on the flow distribution and electrode porosity saturation remains poorly understood in an operating cell. This studentship will aim to establish the relationship between macro-parameters, the microporous flow regime, and the electrochemical performance by imaging miniature operando cells with high temporal resolution, appropriate spatial resolution to capture an RVE and with sufficient resolution and contrast to characterise electrolyte flow. In parallel, spectroscopic techniques (UV-VIS, Raman microscopy, EPR) will be conducted. EXAFS at synchrotron facilities (Diamond Light Source, Oxfordshire) will be employed for monitoring the local oxidation state of the redox species. The results of these spectroscopic techniques, together with the computational modelling will then feed into improved cell designs, which will then be experimentally validated.

The PhD student will work in close collaboration with the industrial partner and will have the possibility to spend up to 6 months at the Shell Technology Centre Amsterdam (STCA), Netherlands (funded). The student will work there closely with a team of international redox flow battery experts and will have access to Shell’s high-end, state-of-the-art energy and lab facilities.

The PhD student will receive extensive training and access to this facility over the full time of the studentship, which is a unique opportunity, since access to high-spec micro-CT instruments is normally limited to a few places worldwide, and access & operation are very costly. The student will moreover present and discuss progress in monthly meetings with the academic supervisory team and a team of energy storage experts from Shell. These meetings will provide additional technical feedback and an industrial perspective to the research.

The ideal candidate should enjoy working in a multi-disciplinary field of energy storage that ranges from inorganic chemistry, materials chemistry to analytical techniques, additive manufacturing and aspects of design & engineering. Team-working qualities, clear communication skills and the ability to learn and develop new techniques are key for a successful candidate. Co-supervisors for this project are Dr Oana Istrate (MAE) and Dr Stephen Glover (MAE).

For more information please contact: Professor Peter Nockemann (p.nockemann@qub.ac.uk)

Closing date for application: Friday, February 24, 2023

Apply Here.

This project builds on continued research leading to the development of a hydrophobic DES for the selective extraction of gallium from waste streams. Gallium is an element in critical supply, especially given the recent technological advancements and the provision of 5G networks on a nationwide scale. In order to meet the global demands, more waste sources must be valorised to ensure that a steady supply of gallium can be maintained.

The student will work in the QUILL laboratories and gain experience designing and developing green solvents, as well as using them in extraction processes. A broad range of analytical techniques will be used, in particular thermal measurements: TGA and DSC, in addition to quantifying metal content by XRF and studying metal speciation by vibrational spectroscopy (IR and Raman).

Duration (up to 12 weeks) and orientational dates:  10 weeks

For more detail and to apply, please contact directly Prof Gosia Swadzba-Kwasny (m.swadzba-kwasny@qub.ac.uk)

For achieving high yield of jasminaldehyde, it is important to enhance the kinetics of cross-Aldol condensation, and minimise the self-Aldol condensation of heptanal. Both these objectives can be achieved by combining catalyst design and process design. We have prepared active PIIL catalyst and preliminarily evaluated the semi-batch process using heptanal as the limiting reagent. Selectivity of Jasminaldehyde could be significantly improved to 92% in semi batch process, as compared to 70% in batch process.

Over summer 2023, we will further optimise the jasminaldehyde process using semi-batch conditions, and also transform the process to continuous flow conditions using new reactor design, a distributed plug-flow reactor, which is now fabricated and ready to use. As compared to normal plug flow conditions, the distributed plug flow reactor mimicks the semi-batch process, but in continuous flow. Successful completion of the project will allow us to widen the scope of reactions to similar cross Aldol condensations useful in perfumery and flavours such as Raspberry ketone, using environment friendly PIIL catalysts in continuous flow.

Duration (up to 12 weeks) and orientational dates:  12 weeks

For more detail and to apply, please contact directly Dr Haresh Manyar (h.manyar@qub.ac.uk)

The goal is to prepare performant materials for CO₂ uptake versus CH₄. The sorbents will be prepared by a PhD student, Mark Young, who will also supervise and train the student in the relevant techniques. The summer student will perform material characterisation (NMR, viscosity, density, TGA, DSC, Karl-Fischer) and the screening for CO₂, CH₄ and for CO₂/CH₄ mixed absorption capacities and separation selectivity via headspace gas chromatography (HS-GC). The results will be compiled and analysed to determine any tendencies and important functionalities for sorbent optimisation.

Duration (up to 12 weeks) and orientational dates:  8 weeks

For more detail and to apply, please contact directly Dr Leila Moura (L.Moura@qub.ac.uk)

3D printing is an emerging technique which offers the user the freedom of form and design and which can be easily used in a range of applications. The most common 3D printing techniques are fused deposition modeling (FDM) and stereolitography (SLA). Additive manufacturing can have applications on a number of chemical process unit operations including pumps, mixers, and reactors (P.A. Kozak, 2020). Many of the factors which determine the total performance of the mixer-settler with respect to size and separation are the same as those which affect the mass transfer performance of the mixer (A.D. Ryon, 1960). The mass transfer performance and phase separation operations are significantly affected by independent variables such as: mixer configuration, agitator speed, residence time in mixer, phase continuity, organic/aqueous ratio, specific settler flow, and settler configuration.

Figure 1: (a) CAD model of 3D printable mixer settler and (b) 3D printed mixer settler unit.

References: P. A. Kozak, P. Tkac, K. E. Wardle, M. A. Brown, G. F. Vandegrift, 2020. Demonstration of the MOEX Process Using Additive-Manufacturing-Fabricated Annular Centrifugal Contactors, Solvent Extraction and Ion Exchange; A.D. Ryon, F.L. Dley, R.S. Lowries, 1960. Design and scale-up of mixer-settlers for the dapex solvent extraction process.

Duration (up to 12 weeks) and orientational dates:  12 weeks

For more detail and to apply, please contact directly Dr Oana Istrate (O.Istrate@qub.ac.uk)

By using new non-aqueous, ionic liquid-based formulations containing redox-stable ionic liquids containing a dispersion of nanoparticles, we can currently increase the vanadium concentration in the electrolyte.1 An overall improvement of the vanadium concentration will lead to a significantly improved energy density that is currently one of the limitations of these redox-flow battery systems. In this project, we will further develop the electrolyte chemistries and characterise them. The electrolytes will then be electrochemically characterised and tested and evaluated in a redox flow cell.

Figure 1: Schematic view of a vanadium redox flow battery (left). Redox flow cell (right).

The student will have the opportunity to work as a part of a research team and acquire a very broad set of skills: advanced inorganic synthetic methods, combined with analytical techniques such as UV/Vis, IR/Raman, NMR, PXRD, single-crystal XRD as well as electron microscopy (SEM) for material characterisation. A student who likes coordination chemistry, nanomaterials and has an interest in (moderate) (in)organic synthesis would be ideal.

Reference: L. Bahadori, R. Boyd, A. Warrington, M.S. Shafeeyan, P. Nockemann, Evaluation of ionic liquids as electrolytes for vanadium redox flow batteries, J. Mol. Liq., 2020, 317, 114017.

Duration (up to 12 weeks) and orientational dates:  12 weeks

For more detail and to apply, please contact directly Prof Peter Nockemann (p.nockemann@qub.ac.uk)