Behavior of the Enthalpy of Adsorption in Nanoporous Materials Close to Saturation Conditions

por Torres-Knoop, Ariana, Poursaeidesfahani, Ali, Vlugt, Thijs J. H., Dubbeldam, David
Publicado 2017

Efficient Application of Continuous Fractional Component Monte Carlo in the Reaction Ensemble

por Poursaeidesfahani, Ali, Hens, Remco, Rahbari, Ahmadreza, Ramdin, Mahinder, Dubbeldam, David, Vlugt, Thijs J. H.
Publicado 2017

Hydride Transfer versus Deprotonation Kinetics in the Isobutane–Propene Alkylation Reaction: A Computational Study

por Liu, Chong, van Santen, Rutger A., Poursaeidesfahani, Ali, Vlugt, Thijs J. H., Pidko, Evgeny A., Hensen, Emiel J. M.
Publicado 2017

Influence of Nanoscale Intimacy and Zeolite Micropore Size on the Performance of Bifunctional Catalysts for n-Heptane Hydroisomerization

por Oenema, Jogchum, Harmel, Justine, Vélez, Roxana Pérez, Meijerink, Mark J., Eijsvogel, Willem, Poursaeidesfahani, Ali, Vlugt, Thijs J.H., Zečević, Jovana, de Jong, Krijn P.
Publicado 2020

Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method

por Hens, Remco, Rahbari, Ahmadreza, Caro-Ortiz, Sebastián, Dawass, Noura, Erdős, Máté, Poursaeidesfahani, Ali, Salehi, Hirad S., Celebi, Alper T., Ramdin, Mahinder, Moultos, Othonas A., Dubbeldam, David, Vlugt, Thijs J. H.
Publicado 2020