| Finite-size effects of binary mutual diffusion coefficients from molecular dynamics SH Jamali, L Wolff, TM Becker, A Bardow, TJH Vlugt, OA Moultos Journal of chemical theory and computation 14 (5), 2667-2677, 2018 | 145 | 2018 |
| Polarizable Force Fields for CO2 and CH4 Adsorption in M-MOF-74 TM Becker, J Heinen, D Dubbeldam, LC Lin, TJH Vlugt The Journal of Physical Chemistry C 121 (8), 4659-4673, 2017 | 101 | 2017 |
| Impact of MOF defects on the binary adsorption of CO2 and water in UiO-66 MI Hossain, JD Cunningham, TM Becker, BE Grabicka, KS Walton, ... Chemical Engineering Science 203, 346-357, 2019 | 87 | 2019 |
| OCTP: A Tool for On-the-Fly Calculation of Transport Properties of Fluids with the Order-n Algorithm in LAMMPS SH Jamali, L Wolff, TM Becker, M De Groen, M Ramdin, R Hartkamp, ... Journal of chemical information and modeling 59 (4), 1290-1294, 2019 | 78 | 2019 |
| Ammonia/ionic liquid based double-effect vapor absorption refrigeration cycles driven by waste heat for cooling in fishing vessels W Meng, B Tim, M., S Bob, A., V Thijs, J., H., IF Carlos, A. Energy Conversion and Management 174, 824-843, 2018 | 51 | 2018 |
| Absorption refrigeration cycles with ammonia–ionic liquid working pairs studied by molecular simulation TM Becker, M Wang, A Kabra, SH Jamali, M Ramdin, D Dubbeldam, ... Industrial & engineering chemistry research 57 (15), 5442-5452, 2018 | 42 | 2018 |
| Assessment of vapor–liquid equilibrium models for ionic liquid based working pairs in absorption cycles M Wang, TM Becker, CAI Ferreira International Journal of Refrigeration 87, 10-25, 2018 | 40 | 2018 |
| Investigating polarization effects of CO2 adsorption in MgMOF-74 TM Becker, D Dubbeldam, LC Lin, TJH Vlugt Journal of Computational Science 15, 86-94, 2016 | 34 | 2016 |
| Polarizable Force Field for CO2 in M-MOF-74 Derived from Quantum Mechanics TM Becker, LC Lin, D Dubbeldam, TJH Vlugt The Journal of Physical Chemistry C 122 (42), 24488-24498, 2018 | 33 | 2018 |
| Solubility of sulfur compounds in commercial physical solvents and an ionic liquid from Monte Carlo simulations SH Jamali, M Ramdin, TM Becker, A Torres-Knoop, D Dubbeldam, ... Fluid Phase Equilibria 433, 50-55, 2017 | 33 | 2017 |
| Prediction of composition-dependent self-diffusion coefficients in binary liquid mixtures: The missing link for darken-based models L Wolff, SH Jamali, TM Becker, OA Moultos, TJH Vlugt, A Bardow Industrial & Engineering Chemistry Research 57 (43), 14784-14794, 2018 | 28 | 2018 |
| Effective Model for Olefin/Paraffin Separation using (Co, Fe, Mn, Ni)‐MOF‐74 A Luna‐Triguero, JM Vicent‐Luna, TM Becker, TJH Vlugt, D Dubbeldam, ... ChemistrySelect 2 (2), 665-672, 2017 | 24 | 2017 |
| Potential of polarizable force fields for predicting the separation performance of small hydrocarbons in M-MOF-74 TM Becker, A Luna-Triguero, JM Vicent-Luna, LC Lin, D Dubbeldam, ... Physical Chemistry Chemical Physics 20 (45), 28848-28859, 2018 | 19 | 2018 |
| Thermodynamic and transport properties of crown-ethers: Force field development and molecular simulations SH Jamali, M Ramdin, TM Becker, SK Rinwa, W Buijs, TJH Vlugt The Journal of Physical Chemistry B 121 (35), 8367-8376, 2017 | 18 | 2017 |
| Gibbs ensemble Monte Carlo simulations of multicomponent natural gas mixtures M Ramdin, SH Jamali, TM Becker, TJH Vlugt Molecular Simulation 44 (5), 377-383, 2018 | 13 | 2018 |
| Computing equation of state parameters of gases from Monte Carlo simulations M Ramdin, TM Becker, SH Jamali, M Wang, TJH Vlugt Fluid Phase Equilibria 428, 174-181, 2016 | 11 | 2016 |
| Molecular simulation of tunable materials: Metal-organic frameworks & ionic liquids theory & application T Becker | 1 | 2019 |
| Ionic liquid-ammonia double-effect absorption refrigeration cycles for refrigeration in fishing vessels M Wang, TM Becker, CAI Ferreira 13th IIR Gustav Lorentzen Conference on Natural Refrigerants: Natural …, 2018 | | 2018 |
| Binary Adsorption of CO2 and Water on Uio-66 MOF J Cunningham, MI Hossain, T Becker, B Rabideau, TG Glover 2017 AIChE Annual Meeting, 2017 | | 2017 |
| Multiscale Modeling of the Dissolution of Cellulose Bundles AE Ismail, BD Rabideau, A Agarwal, TM Becker, T Ploch Chemie Ingenieur Technik 86 (9), 1616-1616, 2014 | | 2014 |
Thijs VlugtProfessor and Chair Engineering ThermodynamicsVerified email at tudelft.nl
