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Dispersion Modelling of Polyaromatic Compounds


Key facts

Type of research degree
Application deadline
Thursday 30 April 2020
Project start date
Thursday 1 October 2020
Country eligibility
UK and EU
Source of funding
Research council
Dr David Harbottle
Additional supervisors
Prof. Kevin Roberts, Dr Robert Hammond
School of Chemical and Process Engineering, School of Chemistry
<h2 class="heading hide-accessible">Summary</h2>

Polyaromatic compounds are encountered in a range of industries from pharmaceuticals to petroleum. Unlike the ultrapure organic compounds, petroleum polyaromatic compounds have been shown to exhibit &gt; 20,000 distinct structures, which makes predicting their solution behaviour difficult. Our recent work has shown solution behaviour to be governed by key elements and functional groups that promote molecule-molecule interactions and form nanoaggregates. Preventing nanoaggregate formation is desirable to limit accumulation of deposits that severely interfere with the performance of the fluid. In the current project we will combine modelling and experiments to determine aggregation mechanisms when the chemical architecture of the interacting species is systematically transformed. This big-data approach will be executed using in-house built grid-based molecular modelling and compound structures obtained from crystallographic databases and high-fidelity experiments using FT-ICR-MS, XPS, NMR, SANS. The modelling approach will provide new insights to design chemical dispersants that prevent nanoaggregate formation, something which is not yet realized. This work is in collaboration with Infineum UK Ltd.

<h2 class="heading">How to apply</h2>

<p>Formal applications for research degree study should be made online through the&nbsp;<a href="">University&#39;s website</a>. Please state clearly in the research information section&nbsp;that the research degree you wish to be considered for is &lsquo;Dispersion Modelling of Polyaromatic Compounds&rsquo;<strong>&nbsp;</strong>as well as&nbsp;<a href="">Associate Prof. David Harbottle</a> as your proposed supervisor.</p> <p>If English is not your first language, you must provide evidence that you meet the University&#39;s minimum English language requirements (below).</p> <p><em>We welcome applications from all suitably-qualified candidates, but UK black and minority ethnic (BME) researchers are currently under-represented in our Postgraduate Research community, and we would therefore particularly encourage applications from UK BME candidates. All scholarships will be awarded on the basis of merit.</em></p>

<h2 class="heading heading--sm">Entry requirements</h2>

Applicants to research degree programmes should normally have at least a first class or an upper second class British Bachelors Honours degree (or equivalent) in an appropriate discipline. The criteria for entry for some research degrees may be higher, for example, several faculties, also require a Masters degree. Applicants are advised to check with the relevant School prior to making an application. Applicants who are uncertain about the requirements for a particular research degree are advised to contact the School or Graduate School prior to making an application.

<h2 class="heading heading--sm">English language requirements</h2>

The minimum English language entry requirement for research postgraduate research study is an IELTS of 6.0 overall with at least 5.5 in each component (reading, writing, listening and speaking) or equivalent. The test must be dated within two years of the start date of the course in order to be valid.

<h2 class="heading">Funding on offer</h2>

<p>UK/EU &ndash;&nbsp;Engineering &amp; Physical Sciences Research Council Studentships paying academic fees of &pound;4,600 for Session 2020/21, together with a maintenance grant (currently &pound;15,009 in Session 2019/20) paid at standard Research Council rates for 3.5 years. UK applicants will be eligible for a full award paying tuition fees and maintenance. European Union applicants will be eligible for an award paying tuition fees only, except in exceptional circumstances, or where residency has been established for more than 3 years prior to the start of the course.&nbsp;&nbsp;Funding is awarded on a competitive basis<br /> &nbsp;</p>

<h2 class="heading">Contact details</h2>

<p>For further information regarding your application, please contact Doctoral College Admissions by email:&nbsp;&nbsp;<a href=""></a>&nbsp;or by telephone:&nbsp; +44 (0) 113 343 5057.</p> <p>For further information regarding the project, please contact Associate Prof. David Harbottle by email:&nbsp;<a href=""></a> or by telephone:: +44 (0)113 343 4154.</p>

<h3 class="heading heading--sm">Linked funding opportunities</h3>
<h3 class="heading heading--sm">Linked research areas</h3>