PhD on Experimental and Theoretical Study of Biofuel Oxidation through Photoelectron Spectroscopy Combined with Synchrotron Radiation and Quantum Chemistry Calculations

21 Feb 2024
Job Information

Organisation/Company

université de Lorraine

Research Field

Chemistry » Physical chemistry

Researcher Profile

First Stage Researcher (R1)

Country

France

Application Deadline

1 Jun 2024 - 00:00 (Europe/Paris)

Type of Contract

Temporary

Job Status

Full-time

Offer Starting Date

1 Oct 2024

Is the job funded through the EU Research Framework Programme?

Not funded by an EU programme

Is the Job related to staff position within a Research Infrastructure?

Yes

Offer Description

Context Lignocellulosic biomass is recognized as a sustainable and renewable energy source. However, the impact of biofuels on pollutant emissions remains unclear, whether they're used as additives or direct substitutes for conventional hydrocarbons. Biofuels are molecularly diverse, containing alcohols, ethers, and carboxylic esters, making them more complex than conventional hydrocarbons. This complexity significantly affects their reactivity and combustion properties. Therefore, understanding the chemical reactions at the molecular level during the oxidation of alternative fuel compounds is crucial for optimizing pollutant emissions in industrial combustion processes involving wood or biofuels.

Thesis Objectives The initial phase of this thesis project involves conducting laboratory experiments that replicate oxidation reactions in a well-stirred reactor operating at atmospheric pressure and temperatures up to 1000 K. This reactor will be linked to several analytical instruments to identify and quantify a broad range of reaction products. The thesis will primarily focus on an innovative analytical method: photoelectron spectroscopy with synchrotron radiation, which provides detailed information on the molecular structure of intermediate species through their vibrational signatures. These experiments will be complemented by quantum chemistry calculations to simulate the vibronic envelope of these intermediates, aiding their identification. The subsequent phase will involve determining the primary chemical transformation pathways of the oxidized compounds to develop kinetic models. These models will be validated by comparing their predictions with quantitative data obtained from laboratory experiments.

Requirements

Research Field

Chemistry » Physical chemistry

Education Level

Master Degree or equivalent

Skills/Qualifications

Candidate Profile We are looking for a candidate with an engineering degree or a master's degree in at least one of the following fields: molecular dynamics/chemical kinetics/combustion chemistry. Experience in mass spectrometry, gas chromatography, or spectroscopy will be beneficial. Programming skills and familiarity with quantum chemistry software will also be considered. While proficiency in French is not mandatory, good command of English, both spoken and written, is essential.

Languages

ENGLISH

Level

Excellent

Additional Information
Work Location(s)

Number of offers available

1

Company/Institute

LRGP laboratory

Country

France

City

nancy

Postal Code

54000

Geofield

Where to apply

Website

https://adum.fr/adm/PropositionThese/tabPropositionT.pl

Contact

State/Province

Nancy

City

Nancy

Website

http://www.univ-lorraine.fr

Street

1 rue Grandville

Postal Code

54000

E-Mail

[email protected]

STATUS: EXPIRED