| CO2 separation from flue gas mixture using [BMIM][BF4]/MOF composites: Linking high-throughput computational screening with experiments HM Polat, S Kavak, H Kulak, A Uzun, S Keskin Chemical engineering journal 394, 124916, 2020 | 69 | 2020 |
| MIL‐53 (Al) as a Versatile Platform for Ionic‐Liquid/MOF Composites to Enhance CO2 Selectivity over CH4 and N2 S Kavak, HM Polat, H Kulak, S Keskin, A Uzun Chemistry–An Asian Journal 14 (20), 3655-3667, 2019 | 60 | 2019 |
| Unlocking CO2 separation performance of ionic liquid/CuBTC composites: Combining experiments with molecular simulations HM Polat, M Zeeshan, A Uzun, S Keskin Chemical Engineering Journal 373, 1179-1189, 2019 | 58 | 2019 |
| Fast and Selective Adsorption of Methylene Blue from Water Using [BMIM][PF6]-Incorporated UiO-66 and NH2-UiO-66 S Kavak, H Kulak, HM Polat, S Keskin, A Uzun Crystal Growth & Design 20 (6), 3590-3595, 2020 | 45 | 2020 |
| Influence of anion size and electronic structure on the gas separation performance of ionic liquid/ZIF-8 composites M Zeeshan, H Kulak, S Kavak, HM Polat, O Durak, S Keskin, A Uzun Microporous and Mesoporous Materials 306, 110446, 2020 | 37 | 2020 |
| Improving CO2 Separation Performance of MIL‐53 (Al) by Incorporating 1‐n‐Butyl‐3‐Methylimidazolium Methyl Sulfate H Kulak, HM Polat, S Kavak, S Keskin, A Uzun Energy Technology 7 (7), 1900157, 2019 | 34 | 2019 |
| New features of the open source Monte Carlo software Brick-CFCMC: Thermodynamic integration and hybrid trial moves HM Polat, HS Salehi, R Hens, DO Wasik, A Rahbari, F De Meyer, ... Journal of Chemical Information and Modeling 61 (8), 3752-3757, 2021 | 31 | 2021 |
| Vapor pressures and vapor phase compositions of choline chloride urea and choline chloride ethylene glycol deep eutectic solvents from molecular simulation HS Salehi, HM Polat, F de Meyer, C Houriez, C Coquelet, TJH Vlugt, ... The Journal of Chemical Physics 155 (11), 2021 | 23 | 2021 |
| Enhanced Water Purification Performance of Ionic Liquid Impregnated Metal–Organic Framework: Dye Removal by [BMIM][PF6]/MIL-53(Al) Composite S Kavak, Ö Durak, H Kulak, HM Polat, S Keskin, A Uzun Frontiers in Chemistry 8, 622567, 2021 | 22 | 2021 |
| Towards complete elucidation of structural factors controlling thermal stability of IL/MOF composites: Effects of ligand functionalization on MOFs Ö Durak, H Kulak, S Kavak, HM Polat, S Keskin, A Uzun Journal of Physics: Condensed Matter 32 (48), 484001, 2020 | 20 | 2020 |
| Solving chemical absorption equilibria using free energy and quantum chemistry calculations: methodology, limitations, and new open-source software HM Polat, F de Meyer, C Houriez, OA Moultos, TJH Vlugt Journal of chemical theory and computation 19 (9), 2616-2629, 2023 | 12 | 2023 |
| Transport properties of mixtures of acid gases with aqueous monoethanolamine solutions: A molecular dynamics study HM Polat, F de Meyer, C Houriez, C Coquelet, OA Moultos, TJH Vlugt Fluid Phase Equilibria 564, 113587, 2023 | 12 | 2023 |
| Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study HM Polat, C van der Geest, F de Meyer, C Houriez, TJH Vlugt, OA Moultos Fluid Phase Equilibria 575, 113913, 2023 | 8 | 2023 |
| Solubility of CO2 in Aqueous Formic Acid Solutions and the Effect of NaCl Addition: A Molecular Simulation Study DO Wasik, HM Polat, M Ramdin, OA Moultos, S Calero, TJH Vlugt The Journal of Physical Chemistry C 126 (45), 19424-19434, 2022 | 8 | 2022 |
| Diffusivity of CO2 in H2O: A Review of Experimental Studies and Molecular Simulations in the Bulk and in Confinement HM Polat, FM Coelho, TJH Vlugt, LF Mercier Franco, IN Tsimpanogiannis, ... Journal of Chemical & Engineering Data 69 (10), 3296-3329, 2024 | 7 | 2024 |
| Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields P Habibi, HM Polat, S Blazquez, C Vega, P Dey, TJH Vlugt, OA Moultos The Journal of Physical Chemistry Letters 15 (16), 4477-4485, 2024 | 4 | 2024 |
| Application of thermodynamics at different scales to describe the behaviour of fast reacting binary mixtures in vapour-liquid equilibrium S Lasala, K Samukov, HM Polat, V Lachet, O Herbinet, R Privat, ... Chemical Engineering Journal 483, 148961, 2024 | 4 | 2024 |
| Predicting Vapor Liquid Equilibrium Curves of Acid Gas Absorption Using Machine Learning and Molecular Simulations F de Meyer, K Klimenko, HM Polat, C Houriez, OA Moultos, A Varnek, ... 2024 AIChE Annual Meeting, 2024 | | 2024 |
| Scaling towards the critical point in the combined reaction/Gibbs ensemble HM Polat, S Lasala, F De Meyer, C Houriez, OA Moultos, TJH Vlugt Fluid Phase Equilibria 582, 114084, 2024 | | 2024 |
| Molecular Simulations of Acid Gas Absorption into Aqueous Solvents HM Polat Delft University of Technology, 2024 | | 2024 |