Aghaei Maryam

Expert working with several gas discharge reactors for CO2 conversion, Dry reforming of CH4, and Nitrogen fixation. Computational modeling for plasma chemistry Computational modeling for fluid dynamics Expert in modeling analytical chemistry ionization sources A communicator with management and leadership skills

Technique

Multidisciplinary Scientist in Physics and Chemistry with both modeling and experimental experties Programming, ANSYS-FLUENT FORTRAN- Kinetic mode Gas Chromatography Plasma reactors High Voltage power supplies

Users

Energy companies Environmental Research groups Chemical industries Device optimization Plasma tech companies Research and development industry

Keywords

Plasma modeling, Plasma deposition, Nitrogen fixation, Co2 conversion, Plasma reactor, Green chemistry, Plasma technology, Energy and environment, Computational modeling, Energy, Analytical chemistry

Bal Kristof

My research concerns the development of new simulation techniques to study matter at the atomic level. I'm currently interested in the new chemical processes and regimes at the plasma–catalyst interface, focussing on the conversion of greenhouse gasses into value-added chemicals.

Technique

Molecular dynamics simulation, Monte Carlo methods, enhanced sampling techniques (metadynamics, hyperdynamics, and own developments), density functional theory from single molecules to condensed systems. Windows/Unix, programming (C/C++, Fortran, Python, Unix shell scripting), HPC environments, scientific software for computational chemistry (CP2K, LAMMPS, Gaussian, PLUMED, etc.). Interpretation and design of experiments.

Users

(Inter)national researchers, industrial partners, journalists, schools.

Keywords

Catalysis, Chemistry, Simulations

Bogaerts Annemie

Combination of experimental and computational research on plasmas and plasma-surface interactions for various applications: 1) Plasma-based gas conversion and plasma catalysis for CO2 conversion into value-added chemicals and fuels, N2 fixation from the air to produce building blocks for our life (e.g. fertilizers), CH4 conversion into higher hydrocarbons and oxygenates,... This includes experiments in various plasma reactors to improve the conversion, selectivity and energy efficiency, as well as modeling the plasma chemistry, plasma reactor design and plasma-surface interactions. 2) Plasma treatment of cancer cells: pancreatic cancer, melanoma, glioblastoma, lung cancer, breast cancer. Study of the mechanisms of selective cancer treatment by comparison with normal cells. 3) Plasma-liquid interaction, for medical applications: Study of the behavior of plasma species in liquid. 4) Plasmas for analytical chemistry, materials science and micro-electronics applications: modeling the plasma chemistry for various gas mixtures and in various types of plasma reactors.

Technique

1) Various DBD plasmas, gliding arc plasma and atmospheric pressure glow discharge, as well as analysis equipment (GC, MS) for gas conversion. 2) Several plasma jets and DBD plasmas for direct treatment of cancer cells, or treatment of liquid media (plasma treated liquids, PTLs) to be used for treatment of cancer cells. Research in collaboration with S. Dewilde (research group PPES, Biomedical Department) and Evelien Smits (Center for Oncological Research) for cancer cell culture and characterization. 3) Various types of models: 0D chemical reaction kinetics models, 2D/3D fluid dynamics simulations, Monte Carlo, particle-in-cell Monte Carlo, hybrid models, molecular dynamics, density functional theory simulations.

Users

1) Chemical companies (interested in conversion of greenhouse gases and waste streams in value-added chemicals), Energy companies, Petrochemistry 2) Cancer researchers, hospitals 3) Microelectronics sector

Keywords

Plasma catalysis, Co2 conversion, Chemical synthesis, Plasma, Cancer cells, Cancer treatment, Chemical process

Boothroyd Joshua

Mixture of experimental and computational research on the plasma-assisted conversion of CO2 for the production of value-added chemicals. I use models to suggest reactor design and operating regime improvements to increase the conversion, energy efficiency and selectivity.

Technique

3D fluid dynamics simulations and 0D chemical reaction kinetics models, Plasma technology.

Users

Industry (bulk chemicals manufacturing)

Keywords

Co2 conversion, Chemical synthesis, Plasma technology

Girard-Sahun Fanny

I'm doing research on plasma-based CO2/CH4 conversion with various plasma reactor designs, as well as with the use of catalyst (plasma-catalysis)to further improve the production of value-added chemicals and renewable fuels. By using Gas Chromatography technique, the various products of the conversion process can be analyzed.

Technique

Plasma technology, gas chomatography analysis, electrical diagnostics

Users

Industry

Keywords

Plasma catalysis, Co2 conversion, Plasma technology

Gogoi Abhijit

Molecular dynamics simulations, Two dimensional membrane materials, Fluid flow through nanofluidic channel

Technique

Nanoscale Molecular Dynamics (NAMD), Visual Molecular Dynamics (VMD), gnuplot, LaTeX, Tcl, C

Users

Micro and Nanofluidic, Membrane separation and purification

Keywords

Molecular dynamics, Membrane science, Nanofluidic

Gorbanev Yury

Investigation of the chemical reactions occurring in plasma-liquid systems. These include interface and bulk reactions. My specific expertise is in the analysis of the reactive oxygen and nitrogen species generated by cold plasmas, tailoring their output by plasmas, and related biomedical research. I also investigate possibilities of green chemical processes with cold plasma reactions, either radical initiation or direct sustainable synthesis.

Technique

Chemical analysis of plasma-liquid interactions, involving short- and long-lived reactive species generated by plasma in and in contact with liquids. Analytical methods include fluorimetry, UV-Vis spectrophotometry, electron paramagnetic resonance (EPR), etc.

Users

Companies and individuals in food industry, manufacturers of biomedical plasma devices, plasma in industrial processes (catalysis, sustainable and green chemistry, etc.)

Keywords

Sustainable chemistry, Plasma chemistry

Khalilov Umedjon

I work on the field of computational material science in general and synthesis of nanostructures in particular. Specifically, I investigate carbon nanotube and graphene growth employing various computer simulation techniques. My PhD thesis was devoted to computational study of silicon nano-oxidation.

Technique

I simulate the nucleation and growth of nanostructures using Molecular Dynamics (MD) and Monte Carlo (MC) methods and Density Functional Theory (DFT).

Users

Besides researchers in this field, my studies are interesting and useful for companies that manufacture products related to carbon and silicon-based nanotechnology.

Keywords

Monte carlo simulations, Theoretical study, Molecular dynamics, Deposition flux, Model systems

Lin Abraham

I am a Postdoctoral Researcher at the University of Antwerp in the field of non-thermal plasma medicine. My research aims to understand plasma-cell interactions and develop non-thermal plasma systems for biomedical applications. Topics of Investigation: 1) Electrical and chemical characterization of plasma treatment regimes for biological applications (e.g. cancer immunotherapy, surface decontamination, neuroregeneration) 2) Development of plasma devices and systems for medical applications including robotics and neural network integration 3) Modulation of tumor-expressing immunosuppressive signals via wet lab experiments and computational modelling 4) Plasma-induced intracellular pathways for sensitivity and resistance development via cancer bioinformatics tools 5) Plasma effects on immunogenic cell death (ICD), tumor microenvironment (TME), epithelial–mesenchymal transition (EMT), and metastasis 6) Combination cancer therapies with plasma 7) Plasma-induced cell death mechanisms

Technique

1) Non-thermal plasma device operations 2) Detection of reactive oxygen species using electron paramagnetic resonance (EPR) spectroscopy, colorimetric assays, UV-Vis spectrophotometry. 3) Power measurements of high voltage plasma systems. 4) 2D (monolayer) and 3D cell culture using spheroids or the live avian egg model 5) In vitro wet lab work and assays including flow cytometry, tissue immunohistochemistry, and image-based analysis with the Incucyte and Tecan Spark Cyto 6) In vivo work with murine cancer models (FELAS C certified) 7) Cancer bioinformatics 8) Robotics development and control

Users

1) Chemists 2) Plasma physicists 3) Oncologists and clinicians 4) Biomedical engineers 5) Medical device companies 6) Robotics and computer engineers

Keywords

Plasma chemistry, Biomedical engineering, Non-thermal plasma medicine, Applied physics

Morais Eduardo

My work focuses on generation of renewable energy and conversion of greenhouse gases into useful and value-added chemicals. My research involves the physico-chemical characterisation of non-oxidative methane conversion under nano-second pulsed plasma discharges via quasi-1D modelling computational approach. Additionally, we aim to look at the role played by heterogenous catalysts following the plasma discharges and investigate reactor design to achieve optimum methane conversion rates. These aspects are also studied using computational and modelling approaches.

Technique

ZDPlasKin COMSOL X-Ray diffraction FTIR UV-Visible spectroscopy Raman spectroscopy XPS

Users

Material Scientists Catalyst Scientists Spectroscopists

Keywords

Catalysis, Sustainability, Plasma

Nematollahi Parisa

The conversion of greenhouse gases (especially CH4 and CO2) to value-added chemicals is of great importance in the context of climate change as well as the chemical industry. Due to the harsh conditions of the traditional conversion methods of CH4 and CO2 in industry and the use of expensive and polluting metal surfaces, finding a clean catalyst with high selectivity to directly synthesize fuels from CH4 and CO2 gases at room temperature would thus be very beneficial from a chemical, environmental and economic perspective. My research concerns the computationally development of new nanocatalysts by means of density functional theory (DFT) calculations to investigate the atomistic details of the gas conversion reaction mechanisms on those novel nanocatalysts like graphene and carbon nanotube.

Technique

Density functional theory (DFT) from single molecules to periodic 0D, 1D and 2D surfaces. Scientific software for computational chemistry calculations (Gaussian, VASP, etc) on the HPC supercluster at UAntwerpen. Calculation of the system’s properties and analysis of the reactions, including charge transfer, electronic properties, and thermodynamics by means of MWFN, and GauessSum. Microkinetic modelling, Programming (Python and Unix shell scripting).

Users

(Inter)national researchers, industrial partners, journalists, schools.

Keywords

Theoretical study, Greenhouse gas, Catalysis, Nanochemistry, Surface sicence, Chemistry, Simulations

Neyts Erik

Computational techniques: * Atomic scale simulations * Molecular dynamics and Monte Carlo * Long time scale dynamics (hyperdynamics, metadynamics) * Density Functional Theory Materials and processes: * Plasma - surface interactions * Carbon nanotubes and graphene * Plasma catalysis * Nanoclusters * PECVD

Technique

- Molecular dynamics - Monte Carlo - Metadynamics and hyperdynamics - DFT

Users

R&D looking for fundamental answers in an applied context.

Keywords

Molecular dynamics, Computer simulations, Carbon nanotubes, Plasma catalysis, Atomistic simulations

Privat Maldonado Angela

Application of low-temperature plasmas for cancer research using 3-dimensional in vitro models and in ovo TUM-CAM model Study of the effect of plasma-generated reactive species in the tumor microenvironment, pancreatic cancer cells and stellate cells, with specific emphasis on the role of stellate cells in the migration of cancer cells upon treatment Live imaging of 3D spheroids, assessment of viability, cell death. Analysis of proliferative markers, extracellular matrix components, hypoxia by immunohistochemistry / immunofluorescence Multi-arrays for 3~D spheroids in paraffin, cryosectioning

Technique

• Cell culture • Light & fluorescence microscopy • 3D in vitro tumor models • Evaluation of vaccine candidates in vitro • IHC/IF, tissue processing • Method development • In ovo TUM-CAM model • Microbiological techniques

Users

Any group willing to work with 3D spheroids in vitro, TUM-CAM model for angiogenesis and cancer research, use of low-temperature plasmas for biomedical purposes

Keywords

Live cell imaging, Atmospheric plasma, Chicken chorioallantoic membrane model, 3d spheroid model, Immunohistochemistry, In vitro culture, Microscopy (fluorescence), Anticancer agents, Cancer research

Sahun Maxime

In my research I am interested in Cold Plasma Technology for viruses inactivation (plasma treatment of viruses, cells infection and viral quantification methods). I am also involved in some plasma cancer projects.

Technique

Cold plasma treatment Viral infection of cells TCID50 and PFU quantification assays Cell culture

Users

PLASMANT CORE

Keywords

Plasma medicine, Plasma technology

Smith Gregory

Development of fluid models of methane plasma for the investigation of methods to increase the selectivity of methane products. This work is part of the Flanders moonshot project: Power-to-Olefins

Technique

Utilisation of the fluid model software, COMSOL and the inclusion of work using the global plasma models such as ZDPlasKin and BOLSIG+.

Users

Groups who require models of systems that can use fluid approximations. Other groups may include those who require chemical reaction models.

Keywords

Fluid models, Theoretical study

Trenchev Georgi

I am an expert in computational fluid dynamics (CFD), plasma physics, and multi-physics modeling. More specifically, I have focused on fluid turbulence, fluid plasma modeling and plasma reactor design. I have experience in designing and constructing various plasma reactors for gas conversion applications. Additionally, I have experience in analog electronics and electromagnetic simulations (for antennas and radio-frequency elements).

Technique

My research techniques include computational fluid dynamics (CFD) modeling using COMSOL and OpenFOAM. I also use COMSOL for multi-physics modeling, and Ansys HFSS for electromagnetic modeling. I have carried out various electrical measurements for high voltage (in plasma reactors), and have analysed gases by the means of gas chromatography. I also use LTspice for analog electronics design.

Users

Companies and institutions involved in: green chemistry, fluid dynamics, plasma sources, chemical reactors, combustion, energy storage, renewable energy, surface coating, surface sterilization, metallurgy, gas analysis, electromagnetic design, analog electronics.

Keywords

Plasma modeling, Physical chemistry, Fluid dynamics, Plasma reactor, Electronics, Heat exchange, Physics

Vanraes Patrick

My research expertise covers the following subdomains of physics and chemistry: - physics of liquid matter (liquid structure, equilibrium and non-equilibrium thermodynamics) - physics of phase transitions - physics of the gas-liquid interface - plasma-liquid interaction - plasma-solid interaction (plasma etching) - plasma formation in the liquid phase - dense plasmas - gas chemistry of plasmas - advanced oxidation technology - LC-MS analysis

Technique

Experimental: - plasma diagnostics (optical emission spectroscopy, ICCD imaging, electrical analysis) - chemical analysis (HPLC-MS, GC-MS, UV-vis-IR absorption spectroscopy, chemical probes) Simulations: - kinetic modelling of plasma gas chemistry - Monte Carlo simulation of surface chemistry - hybrid plasma equipment model (HPEM) for plasma etching Theoretical research and literature study

Users

The first "fundamental focus group" encompasses everyone who is interested in the fundamental behavior of liquids, gas-liquid interfaces, plasma-matter interaction and electrical breakdown in the condensed phase. The second "application focus group" concerns everyone who wants to appeal to related methods, such as simulations and experimental research of the above phenomena, particularly with an eye on biomedical en agricultural applications, green chemistry, water treatment and surface treatment or plasma etching.

Keywords

Plasma modeling, Condensed matter physics, Plasma chemistry, Plasma etching, Physics of liquid matter, Plasma-astrophysics, Phase transitions, Plasma diagnostics, Liquids, Plasma physics