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Results: 24
Number of items: 24
  • Open Access
    Torres-Knoop, A., Schamboeck, V., Govindarajan, N., Iedema, P. D., & Kryven, I. (2021). Effect of different monomer precursors with identical functionality on the properties of the polymer network. Communications Materials, 2, Article 50. https://doi.org/10.1038/s43246-021-00154-x
  • Open Access
    Poursaeidesfahani, A., Andres-Garcia, E., de Lange, M., Torres-Knoop, A., Rigutto, M., Nair, N., Kapteijn, F., Gascon, J., Dubbeldam, D., & Vlugt, T. J. H. (2019). Prediction of adsorption isotherms from breakthrough curves. Microporous and Mesoporous Materials, 277, 237-244. https://doi.org/10.1016/j.micromeso.2018.10.037
  • Open Access
    Torres-Knoop, A., Kryven, I., Schamböck, V., & Iedema, P. D. (2018). Modeling the free-radical polymerization of hexanediol diacrylate (HDDA): a molecular dynamics and graph theory approach. Soft Matter, 14(17), 3404-3414 . https://doi.org/10.1039/c8sm00451j
  • Open Access
    Rahbari, A., Poursaeidesfahani, A., Torres-Knoop, A., Dubbeldam, D., & Vlugt, T. J. H. (2018). Chemical potentials of water, methanol, carbon dioxide and hydrogen sulphide at low temperatures using continuous fractional component Gibbs ensemble Monte Carlo. Molecular Simulation, 44(5), 405-414. https://doi.org/10.1080/08927022.2017.1391385
  • Poursaeidesfahani, A., Rahbari, A., Torres-Knoop, A., Dubbeldam, D., & Vlugt, T. J. H. (2017). Computation of thermodynamic properties in the continuous fractional component Monte Carlo Gibbs ensemble. Molecular Simulation, 43(3), 189-195. https://doi.org/10.1080/08927022.2016.1244607
  • Open Access
    Torres-Knoop, A., Poursaeidesfahani, A., Vlugt, T. J. H., & Dubbeldam, D. (2017). Behavior of the Enthalpy of Adsorption in Nanoporous Materials Close to Saturation Conditions. Journal of Chemical Theory and Computation, 13(7), 3326-3339. https://doi.org/10.1021/acs.jctc.6b01193
  • Open Access
    Jamali, S. H., Ramdin, M., Becker, T. M., Torres-Knoop, A., Dubbeldam, D., Buijs, W., & Vlugt, T. J. H. (2017). Solubility of sulfur compounds in commercial physical solvents and an ionic liquid from Monte Carlo simulations. Fluid Phase Equilibria, 433, 50-55. https://doi.org/10.1016/j.fluid.2016.11.015
  • Torres-Knoop, A., Burtch, N. C., Poursaeidesfahani, A., Balaji, S. P., Kools, R., Smit, F. X., Walton, K. S., Vlugt, T. J. H., & Dubbeldam, D. (2016). Optimization of Particle Transfers in the Gibbs Ensemble for Systems with Strong and Directional Interactions Using CBMC, CFCMC, and CB/CFCMC. The Journal of Physical Chemistry. C, 120(17), 9148-9159. https://doi.org/10.1021/acs.jpcc.5b11607
  • Open Access
    Poursaeidesfahani, A., Torres-Knoop, A., Rigutto, M., Nair, N., Dubbeldam, D., & Vlugt, T. J. H. (2016). Computation of the heat and entropy of adsorption in proximity of inflection points. The Journal of Physical Chemistry. C, 120(3), 1727-1738. https://doi.org/10.1021/acs.jpcc.5b11606
  • Open Access
    Ramdin, M., Balaji, S. P., Vicent-Luna, J. M., Torres-Knoop, A., Chen, Q., Dubbeldam, D., Calero, S., de Loos, T. W., & Vlugt, T. J. H. (2016). Computing bubble-points of CO2/CH4 gas mixtures in ionic liquids from Monte Carlo simulations. Fluid Phase Equilibria, 418, 100-107. https://doi.org/10.1016/j.fluid.2015.09.041
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