Physikalische und theoretische Chemie

Research at the PTC!

We are always looking for new members to join our team and have interesting thesis projects available in the field of interdisciplinary research at the intersection of chemistry and physics.

Experimental work

Atmospheric chemistry

Kinetics of the gas-phase oxidation of selected VOCs for the development of a database to support the construction of SAR models | Kinetics of the gas-phase oxidation of selected VOCs for developing a database for the construction of a SAR model
Suitable for: Bachelor’s, Master’s in Chemistry

Determination of branching ratios in the gas-phase reactions of small organic molecules with OH radicals and Cl atoms | Determination of branching ratios for the gas-phase reactions of small organic molecules with OH radicals and Cl atoms
Suitable for: Master’s in Chemistry

Investigations into the selective generation of RO₂ radicals and their subsequent chemistry | Investigations on the selective generation of RO₂ radicals and their subsequent chemistry 
Suitable for: Master’s in Chemistry

Contact:
Niklas Illmann
V.08.036
Tel: +49-202-439-3406

Instrumental aspects of mass spectrometry / plasma chemistry:

Research into laser ionisation in the liquid phase
Suitable for: Bachelor’s in Chemistry, combined degree programmes, etc.

Design and construction of a direct gas-phase sample inlet for a sector-field mass spectrometer
Suitable for: Bachelor’s in Mechanical Engineering

Construction of functionalised capillaries for mass spectrometry
Suitable for: Master’s in Chemistry

Temperature dependence of VUV radiation and investigations into the magnetic influence on a helical resonator
Suitable for: Bachelor’s in Chemistry, combined degree programmes, etc.

Contact:
Hendrik Kersten

 

Electrospray ionisation (ESI)

Charge states of molecular ions in electrospray ionisation mass spectrometry (ESI-MS)

Detailed information

Suitable for: Bachelor’s or Master’s in Chemistry; Bachelor’s in Applied Science: Chemistry / Physics, Chemistry / Mathematics, Chemistry / Computer Science

Contact:
Walter Wißdorf

Experimental work as part of the 14-AMI project

 

Since 2023, the PTC has been part of the Europe-wide 14-AMI project. Within this project, new measuring instruments are being developed; preparatory experiments are carried out; design work is undertaken; and, finally, the instruments are built. At the same time, our existing instruments are used, for example, to carry out measurement campaigns at other research institutions.

As we are working on cutting-edge research topics here, the upcoming projects change at fairly short intervals. If you are interested in experimental research in this field, please feel free to contact us and we will work with you to find a topic that interests you. No prior knowledge of the software used or the subject area is required.

Simulation work / modelling

Electrospray ionisation (ESI)

Simulation of medium-sized molecular ions using a molecular dynamics collision model

Detailed information

Suitable for: Bachelor’s or Master’s in Chemistry; Bachelor’s in Applied Science: Chemistry / Physics, Chemistry / Mathematics, Chemistry / Computer Science

Contact:
Walter Wißdorf

Simulation of charged nanodrops in mass spectrometers

Detailed information

Suitable for: Bachelor’s or Master’s in Chemistry; Bachelor’s in Applied Science: Chemistry / Physics, Chemistry / Mathematics, Chemistry / Computer Science

Contact:
Walter Wißdorf

Simulation work in the 14-AMI project

Since 2023, PTC has been part of the Europe-wide 14-AMI project. One of our key objectives is the development and design of new measuring instruments. In addition to experimental investigations and design work, we also use ion-molecule simulations as an important tool. To carry out this work, we use software such as PLASIMO, SIMION, SPARTA and IDSimF. Our research is at the cutting edge and subject to constant change. Much like the experimental work on the same project, the upcoming projects change at fairly short intervals. If you are interested in simulation-based research in this field, please feel free to contact us and we will work together to find a topic that interests you. No prior knowledge of the software used or the subject area is required.

Theses / projects with a significant focus on software development

Software analysis and development are central aspects of the following projects. They are therefore particularly suitable for final-year projects in degree programmes with a significant focus on computer science and mathematics. These projects are generally carried out in collaboration with other research groups.

Efficient calculation of surface/electrode collisions in ion trajectory simulations
The aim of this thesis is to extend a simulation tool (IDSimF) developed at the PTC to include an efficient method for detecting collisions between the simulated particles and surfaces and electrodes. This will significantly improve the applicability of the simulation tool for specific research questions.

Analysis and optimisation of integration quality in ion trajectory simulations
The aim here is to characterise and optimise the quality of the numerical integration of the equation of motion for simulated ions in a simulation tool developed by the PTC.

Detailed collision models of large molecules at high pressures
This work aims to develop a novel model to describe the interaction between large molecular ions and neutral background gas particles at elevated collision probabilities.

Extraction of time-dependent ion mobility from the phase dependence of the compensation voltage in a modulated differential mobility spectrometry (DMS) experiment
This work aims to derive information on time-dependent ion mobility from the results of a novel ion mobility experiment.

Contact for further information:
Walter Wißdorf