This PhD project, 'Digital Exploration of Sulfur-Polymer Development', is offered by the Department of Chemistry at the University of Liverpool under the EPSRC Centre for Doctoral Training in Digital and Automated Materials Chemistry (DAMC CDT). The research focuses on the transformation of industrial sulfur waste, a by-product of petrochemical purification, into advanced polymers through innovative synthetic and computational approaches. Inverse vulcanised (IV) polymers have emerged as promising materials for applications in energy storage, sustainability, metal capture, optical materials, and antimicrobial surfaces, yet their structure and properties require deeper investigation.

The project aims to address key open questions in the field: differentiating thermal, catalytic, and photochemical synthetic routes with respect to polymer structure and properties; benchmarking the impact of repeated reformation cycles; and elucidating reaction mechanisms and polymer structures. Methodologically, the student will conduct a comprehensive literature review to build a database of monomers, structures, side products, and impurities. Experimental work will involve synthesising a library of sulfur-based polymers under varied conditions and characterising them using techniques such as FTIR, NMR, PXRD, DSC, Raman, GPC, and tensile testing. Parallel computational workflows will simulate polymer fragments, predict spectra, and evaluate thermal and mechanical properties, leveraging a novel simulation methodology developed by the Troisi group to enable non-experts to produce publication-quality results.

The project is highly interdisciplinary, integrating experimental chemistry, materials science, and digital automation. It offers opportunities to incorporate automation design for property testing during aging and recycling, as well as high-throughput screening and characterisation of large sample sets. The student will compare experimental and simulated spectra, automate spectral predictions, and build a database linking physical properties to spectral data, providing invaluable reference material for the field.

Supervision is provided by Dr. Tom Hasell, with expertise in sulfur polymer synthesis and characterisation, and Prof. Alessandro Troisi, who leads the computational methodology. The successful candidate will benefit from cohort-based training in robotic, digital, chemical, and physical thinking, developed in collaboration with 35 industrial partners to foster flexible, employable researchers capable of cross-domain communication.

The EPSRC DAMC CDT Studentship covers full home tuition fees and a maintenance grant for four years (2025-26 rates: £5,006 pa tuition fees, £20,780 pa maintenance grant; 2026-27 rates TBC), plus a Research Training Support Grant for consumables and conferences. Limited scholarships are available for outstanding international students to cover the fee difference. Disabled Students’ Allowance may be available for eligible candidates.

Applicants should hold or expect a first or upper second class degree in Chemistry, Materials Science, or a related discipline. Experience in synthetic or computational chemistry is desirable. The University of Liverpool is committed to diversity and inclusion, supporting reasonable project adaptations for students with disabilities or caring responsibilities.

To apply, register and submit your application online, indicating Chemistry as the subject area and including the project title and reference number CCPR169. Review the CDT guide on 'How to Apply' for specific instructions. Informal enquiries are welcome via [email protected]. The position will remain open until a suitable candidate is found, with a recommended application deadline of January 15, 2026.