Thijs Vlugt

Professor of Engineering thermodynamics
Delft University of Technology

About me

Make important contributions in the fields of heterogeneous catalysis, process technology, computer simulation and molecular modelling, absorption processes using nanoporous materials, modeling transport of heat and mass on the nano scale.

About my research

Obtaining VIDI & VICI grants, discovery of a new GE-CFCMC implementation, derivation of an equation to study diffusion at infinite dilution in liquids, revealing the mechanism of cation exchange in NCs.

Academic career

Personal webpage

Publications

Prediction of Thermochemical Properties of Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization

S. Sharma, J. Sleijfer, J. op de Beek, S. van der Zeeuw, D. Zorzos, S. Lasala, M. Rigutto, E. Zuidema, U. Agarwal, R. Baur, S. Calero, D. Dubbeldam, T. Vlugt

RUPTURA: simulation code for breakthrough, ideal adsorption solution theory computations, and fitting of isotherm models

S. Sharma, M.S. Rigutto, R. Baur, U. Agarwal, E. Zuidema, S.R.G. Balestra, S. Calero, D. Dubbeldam, and T.J.H. Vlugt

Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities

S. Sharma, M.S. Rigutto, R. Baur, U. Agarwal, E. Zuidema, S.R.G. Balestra, S. Calero, D. Dubbeldam, and T.J.H. Vlugt

Kinetics of zeolite-catalyzed heptane hydroisomerization and hydrocracking with CBMC-modeled adsorption terms: Zeolite Beta as a large pore base case

U. Agarwal, M.S. Rigutto, E. Zuidema, A.P.J. Jansen, A. Poursaeidesfahani, S. Sharma, D. Dubbeldam, and T.J.H. Vlugt