| Influence of Nanoscale Intimacy and Zeolite Micropore Size on the Performance of Bifunctional Catalysts for n-Heptane Hydroisomerization J Oenema, J Harmel, RP Vélez, MJ Meijerink, W Eijsvogel, ... ACS catalysis 10 (23), 14245-14257, 2020 | 68 | 2020 |
| Direct free energy calculation in the Continuous Fractional Component Gibbs ensemble A Poursaeidesfahani, A Torres-Knoop, D Dubbeldam, TJH Vlugt Journal of chemical theory and computation 12 (4), 1481-1490, 2016 | 62 | 2016 |
| Behavior of the enthalpy of adsorption in nanoporous materials close to saturation conditions A Torres-Knoop, A Poursaeidesfahani, TJH Vlugt, D Dubbeldam Journal of chemical theory and computation 13 (7), 3326-3339, 2017 | 59 | 2017 |
| Prediction of adsorption isotherms from breakthrough curves A Poursaeidesfahani, E Andres-Garcia, M de Lange, A Torres-Knoop, ... Microporous and Mesoporous Materials 277, 237-244, 2019 | 56 | 2019 |
| Product shape selectivity of MFI-type, MEL-type, and BEA-type zeolites in the catalytic hydroconversion of heptane A Poursaeidesfahani, MF de Lange, F Khodadadian, D Dubbeldam, ... Journal of catalysis 353, 54-62, 2017 | 56 | 2017 |
| Hydride transfer versus deprotonation kinetics in the isobutane–propene alkylation reaction: a computational study C Liu, RA Van Santen, A Poursaeidesfahani, TJH Vlugt, EA Pidko, ... ACS catalysis 7 (12), 8613-8627, 2017 | 50 | 2017 |
| Efficient application of Continuous Fractional Component Monte Carlo in the reaction ensemble A Poursaeidesfahani, R Hens, A Rahbari, M Ramdin, D Dubbeldam, ... Journal of chemical theory and computation 13 (9), 4452-4466, 2017 | 45 | 2017 |
| Design, characterization and model validation of a LED-based photocatalytic reactor for gas phase applications F Khodadadian, MW De Boer, A Poursaeidesfahani, JR Van Ommen, ... Chemical Engineering Journal 333, 456-466, 2018 | 43 | 2018 |
| Brick-CFCMC: Open source software for Monte Carlo simulations of phase and reaction equilibria using the continuous fractional component method R Hens, A Rahbari, S Caro-Ortiz, N Dawass, M Erdős, ... Journal of Chemical Information and Modeling 60 (6), 2678-2682, 2020 | 40 | 2020 |
| Improving olefin purification using metal organic frameworks with open metal sites A Luna-Triguero, JM Vicent-Luna, A Poursaeidesfahani, TJH Vlugt, ... ACS applied materials & interfaces 10 (19), 16911-16917, 2018 | 34 | 2018 |
| Computation of partial molar properties using continuous fractional component Monte Carlo A Rahbari, R Hens, IK Nikolaidis, A Poursaeidesfahani, M Ramdin, ... Molecular Physics 116 (21-22), 3331-3344, 2018 | 32 | 2018 |
| Computation of thermodynamic properties in the continuous fractional component Monte Carlo Gibbs ensemble A Poursaeidesfahani, A Rahbari, A Torres-Knoop, D Dubbeldam, ... Molecular Simulation 43 (3), 189-195, 2017 | 30 | 2017 |
| Enhancing the water capacity in Zr-Based metal–organic framework for heat pump and atmospheric water generator applications A Luna-Triguero, A Sławek, HP Huinink, TJH Vlugt, A Poursaeidesfahani, ... ACS Applied Nano Materials 2 (5), 3050-3059, 2019 | 25 | 2019 |
| Computation of the heat and entropy of adsorption in proximity of inflection points A Poursaeidesfahani, A Torres-Knoop, M Rigutto, N Nair, D Dubbeldam, ... The Journal of Physical Chemistry C 120 (3), 1727-1738, 2016 | 25 | 2016 |
| Chemical potentials of water, methanol, carbon dioxide and hydrogen sulphide at low temperatures using continuous fractional component Gibbs ensemble Monte Carlo A Rahbari, A Poursaeidesfahani, A Torres-Knoop, D Dubbeldam, ... Molecular Simulation 44 (5), 405-414, 2018 | 23 | 2018 |
| Optimization of particle transfers in the Gibbs ensemble for systems with strong and directional interactions using CBMC, CFCMC, and CB/CFCMC A Torres-Knoop, NC Burtch, A Poursaeidesfahani, SP Balaji, R Kools, ... The Journal of Physical Chemistry C 120 (17), 9148-9159, 2016 | 22 | 2016 |
| Modeling the phase equilibria of asymmetric hydrocarbon mixtures using molecular simulation and equations of state IK Nikolaidis, A Poursaeidesfahani, Z Csaszar, M Ramdin, TJH Vlugt, ... AIChE Journal 65 (2), 792-803, 2019 | 17 | 2019 |
| Model‐Based Optimization of a Photocatalytic Reactor with Light‐Emitting Diodes F Khodadadian, A Poursaeidesfahani, Z Li, JR van Ommen, ... Chemical Engineering & Technology 39 (10), 1946-1954, 2016 | 16 | 2016 |
| Kinetics of zeolite-catalyzed heptane hydroisomerization and hydrocracking with CBMC-modeled adsorption terms: Zeolite Beta as a large pore base case U Agarwal, MS Rigutto, E Zuidema, APJ Jansen, A Poursaeidesfahani, ... Journal of Catalysis 415, 37-50, 2022 | 6 | 2022 |
| Investigation of the effects of drag reducing polymers on stratified flows A Poursaeidesfahani | 2 | 2014 |
Thijs VlugtProfessor and Chair Engineering ThermodynamicsVerified email at tudelft.nl
