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

Review of group contribution methods for prediction of thermodynamic properties of long-chain hydrocarbons

Ziyan Li, Leonidas Constantinou, Richard Baur, David Dubbeldam, Sofia Calero, Shrinjay Sharma, Thijs Vlugt

Machine Learning-Based Predictions of Henry Coefficients for Long-Chain Alkanes in One-Dimensional Zeolites: Application to Hydroisomerization

Shrinjay Sharma, Ping Yang, Yachan Liu, Kevin Rossi, Peng Bai, Marcello S. Rigutto, Erik Zuidema, Umang Agarwal, Richard Baur, Sofia Calero, David Dubbeldam, Thijs J.H. Vlugt*

Second-order group contribution method for Tc, Pc, ω, ΔGf0, ΔHf0 and liquid densities of linear and branched alkanes

Ziyan Li, Leonidas Constantinou, Richard Baur, David Dubbeldam, Sofia Calero, Shrinjay Sharma, Marcello Rigutto, Poulumi Dey & Thijs. J. Vlugt

Implementation of energy and force grids in molecular simulations of porous materials

Youri A. Rana, Joseph Tapia, Shrinjay Sharma, Peng Bai, Sofia Calero, Thijs J. H. Vlugt & David Dubbeldam

Techno-economic analysis of catalytic methane pyrolysis in a fluidized bed reactor with reactor-scale catalyst deactivation modeling

P.B. Tamarona, T.M.J. Nijssen, T.J.H. Vlugt, M. Ramdin

TAMOF-1 for capture and separation of the main flue gas components†

S.Sharma, S. Gooijer, S.Capelo-Aviles, S. Giancola, J.R. Galan-Marcos, T.J.H. Vlugt, D. Dubbeldam, J.M. Vincent-Luna and S. Calero

Computing Entropy for Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization

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

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

Understanding shape selectivity effects of hydroisomerization using a reaction equilibrium model

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