[School of Natural Sciences PhD Scholarships] Developing a Thermodynamic Theory of Confined Electrolyte Transport under Electric Fields

About the project

About the Project Applications are invited for a PhD studentship at the interface of molecular simulation, electrochemistry, nanofluidics, and thermodynamics under the joint supervision of Professor Paola Carbone and Professor Robert Dryfe. Transport of ions through nanoporous materials under electric fields underpins technologies ranging from membrane separations and water purification to electrochemical energy storage and emerging nanofluidic devices. Despite decades of research, the molecular mechanisms governing ion transport under confinement remain poorly understood. Increasing evidence suggests that nanoscale confinement fundamentally alters the thermodynamic properties of electrolytes, including surface tension, ion hydration, ion pairing, and chemical potentials, which in turn influence ion mobility and selectivity. This PhD project will investigate how confinement and electric fields modify the thermodynamic state of aqueous electrolytes and how these changes govern transport behaviour. The overarching goal is to develop a predictive framework linking molecular thermodynamics to ion transport and selectivity in nanoporous materials. The successful candidate will use state-of-the-art molecular simulation techniques, including equilibrium and non-equilibrium molecular dynamics simulations, to study electrolytes confined within nanoporous structures. A distinctive feature of this project is the close integration between simulation and experiment. Computational predictions will be tested using electrochemical measurements performed in Professor Dryfe's laboratory to provide direct validation of the theoretical framework. The research builds upon established transport theories, including the Maxwell-Stefan framework, while addressing a major unresolved challenge: understanding transport in strongly confined electrolytes subjected to external electric fields. The project combines molecular simulation, statistical mechanics, electrochemistry, and data-driven modelling, providing training across multiple disciplines. The student will join established research groups with internationally recognised expertise in molecular simulation of electrolytes, electrochemical interfaces, nanomaterials, and membrane science. The project will benefit from extensive simulation workflows, high-performance computing infrastructure, experimental facilities, and machine-learning models already developed within the groups. Why Apply? This project offers the opportunity to tackle a fundamental problem at the forefront of nanofluidics and membrane science while developing expertise in both computational and experimental research. The outcomes have the potential to transform our understanding of confined electrolyte transport and contribute to the design of next-generation membranes, electrochemical devices, and sustainable separation technologies. This project is expected to start in September 2027. Before you apply: We strongly recommend that you contact the supervisors for this project before you apply. How to apply: To be considered for this project you must complete a formal application through our online application portal. If you already have an applicant account this link will directly open an application for PhD School of Natural Sciences Scholarships . If you don’t already have an applicant account, please follow the instructions here . When applying, please specify the full title and supervisor/s of the project, details of your previous study, and names and contact details of two referees. You must also upload a Supporting Statement describing your motivation to apply to the project, your CV and transcripts of awarded and in-progress university qualifications . Please note late or incomplete applications will not be considered. Equality, diversity and inclusion are fundamental to the success of The University of Manchester and central to all our activities. A diverse research community strengthens creativity, productivity and quality, while increasing the societal and economic impact of our work. We welcome applicants from all career paths, backgrounds and sections of the community, regardless of age, disability, ethnicity, gender, gender expression, sexual orientation or transgender status. We welcome applications from candidates returning to study after a career break or experience in other roles. Flexible study arrangements may be available, including part-time study at 50%, 60% or 80%, subject to the requirements of the project and funder. Eligibility : The standard academic entry requirement for this PhD is an upper second-class (2:1) honours degree (or international equivalent) in Chemistry, Physics, Chemical Engineering, or Material Science OR any upper-second class (2:1) honours degree and a Master’s degree at merit (or international equivalent) in Chemistry, Physics, Chemical Engineering, or Material Science. Previous research experience in molecular simulation, thermodynamics, electrochemistry, or programming is desirable. This project will remain open until filled. If your application is submitted by 1 st November 2026, you can expect a decision by 18 th December 2026. If your application is submitted by 15 th January 2027, you can expect a decision by 30 th March 2027. Self or externally funded students can also be considered for this project. FSESoNS

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