PhD scholarship in Thermodynamic Modeling of CO2 hydrates

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Center for Energy Resources Engineering, Department of Chemical and Biochemical Engineering, Technical University of Denmark, has an opportunity to support a PhD project: Modeling of CO2 hydrates using an improved CPA equation of state in the framework of the project supported by the Danish Research Council ”CO2 Hydrates – Challenges and Possibilities”.

Description of the project
CO2 hydrates are a nuisance in the petroleum industry but also constitute a great opportunity as they form the basis for a new technology for capturing CO2 from flue gases. Both the understanding of the problems caused by them and the exploitation of CO2 hydrates require high quality experimental thermodynamic data and rigorous models which can be used over an extensive range of conditions and chemicals (used as gas hydrate formers and inhibitors).

The objectives of the project is to build a solid experimental and theoretical framework for fully understanding and addressing the problems of CO2 hydrates in the petroleum industry and for enhancing the future utilization of hydrate crystallization as a CO2 capture technology.

Two research groups from DTU (Denmark) and Ecole des Mines (France) will closely work towards the above objective. More specifically, new experimental data will be produced for the gas hydrate formation from mixtures of CO2 + N2 + water (and THF aqueous solution). For the modeling of these and literature data, a novel theory, based on statistical thermodynamics, will be developed for both the description of solid and fluid phases and applicable to a wide range of conditions and chemicals (hydrate formers and hydrate inhibitors).

Cerinte Termene de aplicare Contact Fisiere utile

Termenul de aplicare a fost pana la 31 Ianuarie 2012

The task of the PhD student
The task for the PhD student will be to develop a molecular thermodynamic model, based on the CPA equation of state, for modeling mixtures related to CO 2 hydrates. The model is expected to include the effect of quadrupole. The model will be first tested for mixtures containing CO2 with water and alkanes and then incorporated in an improved van der Waals - Platteeuw theory for describing CO2 hydrates. Complex mixtures containing CO2 hydrates and inhibitors (methanol, glycols) will be studied both experimentally (France) and modeling (DTU).
The student is expected to exhibit creativity, openness to new challenges and interest to independent research.

Required skills

Candidates should have a master's degree in chemical engineering or a similar degree with an academic level equivalent to the master's degree in engineering
Programming skills preferably in FORTRAN or other similar programming language
Knowledge of thermodynamics especially thermodynamic models
Knowledge of advanced association models will be considered an extra qualification
Good writing skills in English
Interest to independent research

Approval and Enrolment
The scholarships for the PhD degree are subject to academic approval, and the candidates will be enrolled in one of the general degree programmes of DTU. For information about the general requirements for enrolment and the general planning of the scholarship studies, please see the DTU PhD Guide.

Salary and appointment terms
The salary and appointment terms are consistent with the current rules for PhD degree students. The period of employment is 3 years.

Further information
The project will be supervised by Professor Georgios M. Kontogeorgis, gk@kt.dtu.dk and is in collaboration with Dr. Amir Mohammadi from Ecole des Mines, France.

Application
We must have your online application by 31 January 2012. Please open the link "apply for this job online", fill in the online application form and attach the following documents:

A letter outlining the motivation for the PhD study and for this particular project (cover letter)
Curriculum vitae
Grade transcripts and BSc/MSc diploma
Excel sheet with translation of grades to the Danish grading system ( see guidelines and excel spreadsheet here)
References

Candidates may apply prior to obtaining their master's degree, but cannot begin before having received it.
All interested candidates irrespective of age, gender, race, disability, religion or ethnic background are encouraged to apply.