PhD Position (8) TW12 - Department of Chemical engineering and technical chemistry, Ghent University

• Last application date: 2012-04-30 17:00
• Department: TW12 - Department of Chemical engineering and technical chemistry
• Contract: bepaald
• Occupancy rate: 100%
• Vacancy Type: wp

Model guided design of multi-step one pot synthetic sequences for functional polymer materials.

Aim

In this PhD project, the development of multi-step one pot synthetic sequences to synthesize linear, branched and cross-linked polymer materials will be explored using amine-thiol-ene conjugation chemistry. Guided by theoretical calculations and kinetic modeling, the project aims at defining reaction conditions that allow to fully control the polymer microstructure.

Context

‘Click’ chemistry is a powerful tool to make new functional polymer materials with a broad range of applications in medicine, electronics, coatings, etc. To optimize the benefit of ‘click’ chemistry to link polymer molecules together in complex functional architectures, multi-step one pot synthetic sequences have to be envisaged, since they make laborious work-up and purification obsolete. A very promising accelerated protocol for the synthesis of several types of polymeric architecture is shown in the right figure.  A thiolactone entity serves as a precursor for thiols (latent functionality) in a one-pot amine-thiol-ene reaction: the thiolactone ring opens upon aminolysis (nucleophilic reaction) and the in situ generated thiol reacts with a double bond (radical, photo-initiated process), already present in the same pot, resolving important issues concerning the instability and availability of thiols. Currently, the very promising synthetic strategy is still in its pioneering stage. A detailed study of the amine-thiol-ene conjugation will allow to further exploit its potential. The obtained insights will enable to define the possibilities and limitations, especially when targeting functional polymer materials with well-defined architectures.

Program

Advisor: Marie-Françoise Reyniers
Funding: Foundation for Scientific Research Flanders (Science and Technology)

PhD Fellowships are available in the following domains:

• Biomass Conversion
• Transient Kinetics
• Metal catalyzed reactions
• Radical Polymerization
• Pyrolyis and Steam cracking
• Computational Fluid Dynamics coupled with kinetics

Typical activities during a 4 year PhD project:

• Experimental acquisition of intrinsic reaction rate data.
• Model construction based on reaction mechanisms and estimation of kinetic parameters by data regression and/or quantum chemical calculations.
• Scale-up of lab data and simulation of industrial processes by developing and implementing reactor models accounting for transport next to reaction. Development and application of Computational Fluid Dynamics models in that context.
• Normal duties will apply, including the preparation of scientific reports and publications and assisting in supervising of MSc students.

Requirements

Applicants must possess a MSc in Chemical Engineering or related subject and a TOEFL certificate ( minimum score of 580(paper)/92(iBT)/237(computer)) or equivalent. Relevant experience in the area of reactor engineering, kinetics, and/or computational chemistry is strongly recommended. Candidates must have a strong mathematical background and be willing to focus on obtaining quantitative rather than qualitative results. Excellent candidates with a PhD in the above domains and willing to spend between 1 and 3 years at LCT can also apply for a postdoctoral fellowship.

Any additional information can be obtained by contacting Guy B. Marin. Any application should enclose a C.V., a one page justification of your interest and at least two references.

Guy.Marin@UGent.be

09 264 45 17