Thijs Vlugt
Position
Chairman
Section
Projects:
- Atomistic Molecular Dynamics Simulations (MD) of Ionic Liquids (ILs) and Deep Eutectic Solvents (DESs) for designing
- novel green ILs and DESs
- Bulk viscosity from MD simulations
- Catalytic conversion of aromatics in zeolites
- Chemical Equilibrium in Monte Carlo simulations
- Computational discovery of hydrogen storage materials
- Computing Thermodynamic and Transport Properties of Solutions using the Kirkwood-Buff Theory
- Design and optimization of nanomembranes based on reverse osmosis
- Development of fast and reliable methods for the calculation of transport coefficients of ionic liquids
- Efficient application of continuous fractional component Monte Carlo (CFCMC)
- Electrochemical conversion of CO2 to valuable components
- Evaluation of clay force fields for different applications
- Flow patterns in plate heat exchangers and local heat and mass transfer process
- Hydrocracking and hydroisomerization of hydrocarbons using zeolites
- Ionic Liquid-Refrigerant Mixture for Highly Efficient Absorption Heat Pump Systems
- Molecular Simulation of ILs and DESs
- Molecular simulations of wetting phenomena and solid-liquid interfaces
- Multiscale modelling of the photoelectrochemical interface
- New membranes for water desalination
- Phase equilibria predictions of binary and multicomponent mixtures
- Polarizable force field development for Monte Carlo simulations in porous materials
- Rigidity, fluidity, and yielding
- Transport Properties from Molecular Dynamics Simulations
- Zeolites for aquatic pollutant removal
Research Activities
- Understanding transport of mass and heat at the nano/molecular scale
- Self-assembly of nanocrystals (NWO-CW VIDI grant 2005)
- Adsorption of hydrocarbons and CO2
- Statistics of force networks
Prof.dr.ir. T.J.H. Vlugt
- +31 (0)15 2786734
- Personal homepage
-
P&E Laboratory
Building 34-K-0-150
Leeghwaterstraat 39
2628 CB DELFT
The Netherlands