The University of Bath Institute for Sustainability is inviting applications for the following funded PhD project commencing in October 2023.
Kinetic analyses are the foundation of catalytic reaction mechanisms that allow us to understand the dynamic behaviour of the system to optimize reaction parameters and design improved reagents and catalysts in a rational way. However, gathering relevant kinetic data for meaningful interpretation can be tedious and difficult. A conceptual challenge with complex catalytic systems is that the degrees of freedom are not known a priori. Thus, in practice one cannot predict how much and what kind of data will be required for understanding a given reaction. Generally, the higher the complexity of the reaction the more data will be needed, especially when applying sophisticated fitting methods that aim to extract multiple pieces of information from a small number of experiments, such as RPKA/VTNA or CAKE. While elegant and promising, these often only work on well-defined model systems but break down in more complicated cases due being based on single attributes (i.e. decline of substrate or build-up of the key product) that don’t account for changes in catalyst speciation and reaction selectivity over time. In order to overcome these limitations, in this project we will use a comprehensive setup of orthogonal real-time reaction monitoring techniques to collect a combination of complementary data that will allow us to apply advanced kinetic analyses for maximum information at minimal experimental effort.
The work will be based on the use a modular batch reactor connected to a recirculating-flow setup that analyses temporal changes over time using the most advanced and comprehensive analytical setup for solution-phase chemistry in the UK: Bath’s Dynamic Reaction Monitoring (DReaM) Facility. Data to be acquired and analysed include multi-nuclear FlowNMR, UV-vis, IR and Raman spectroscopies as well as sampling HPLC and mass spectrometry.
Through the use of new software tools (developed collaboratively later on), the concept of controlled parameter modulation (i.e. temperature or reagent concentrations) during a reaction will be added, and automated analysis protocols may be implemented to streamline the process and increase accuracy and confidence in the data generated.
Reactions of interest concern selective catalytic transformations of small/medium sized molecules of relevance to fine chemical production, and as such organometallic chemistry and applied homogeneous catalysis are an integral part of this project. Appropriate model systems will be chosen in close collaboration with our industrial partner AstraZeneca who also provide project support and co-supervision and offer industrial placements.
Suitable applicants do not need to be an expert in chemical kinetics or multi-technique operando analysis, but a solid understanding of physical chemistry and homogeneous catalysis is required for the project. A methodical approach to research with close attention to detail, an intrinsic interest in mechanistic investigations in transition-metal catalysis, a willingness to learn new techniques (such as engineering aspects of the flow setup and kinetic modelling), and a real drive to develop new methods and overcome challenges are essential attributes for this PhD.
Subject to the signing of a contractual agreement, the project will be carried out in collaboration with AstraZeneca.
Project keywords: analytical chemistry, applied chemistry, industrial chemistry, inorganic chemistry, organic chemistry, pharmaceutical chemistry, physical chemistry, synthetic chemistry, chemistry-other
Candidate Requirements:
Applicants should hold, or expect to receive, a First Class or good Upper Second Class Honours degree (or the equivalent). A master’s level qualification would also be advantageous.
Non-UK applicants must meet our English language entry requirement.
Enquiries and Applications:
Informal enquiries are welcomed and should be directed to Dr Ulrich Hintermair, [Email Address Removed]
Formal applications should be made via the University of Bath’s online application form for a PhD in Chemistry.
More information about applying for a PhD at Bath may be found on our website.
Note: Applications may close earlier than the advertised deadline if a suitable candidate is found; therefore, we recommend that candidates contact the lead supervisor in advance of preparing their application and then submit their formal application as early possible.
IMPORTANT: Due to a software upgrade, the University of Bath’s online application system will not be functional during the period 22-28 April and you will not, therefore, be able to access the application form or a view/edit a saved application during this period.
Funding Eligibility:
To be eligible for funding, you must qualify as a Home student. The eligibility criteria for Home fee status are detailed and too complex to be summarised here in full; however, as a general guide, the following applicants will normally qualify subject to meeting residency requirements: UK nationals (living in the UK or EEA/Switzerland), Irish nationals (living in the UK or EEA/Switzerland), those with Indefinite Leave to Remain and EU nationals with pre-settled or settled status in the UK under the EU Settlement Scheme). This is not intended to be an exhaustive list. Additional information may be found on our fee status guidance webpage, on the GOV.UK website and on the UKCISA website.
Equality, Diversity and Inclusion:
We value a diverse research environment and aim to be an inclusive university, where difference is celebrated and respected. We welcome and encourage applications from under-represented groups.
If you have circumstances that you feel we should be aware of that have affected your educational attainment, then please feel free to tell us about it in your application form. The best way to do this is a short paragraph at the end of your personal statement.
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