Research output per year
Research output per year
Search results
-
2019
Molecular simulation of the vapor-liquid equilibria of xylene mixtures: Force field performance, and Wolf vs. Ewald for electrostatic interactions
Caro-Ortiz, S., Hens, R., Zuidema, E., Rigutto, M., Dubbeldam, D. & Vlugt, T. J. H., 2019, In: Fluid Phase Equilibria. 485, p. 239-247Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile6 Citations (Scopus)52 Downloads (Pure) -
2020
Adsorption of Aromatics in MFI-Type Zeolites: Experiments and Framework Flexibility in Monte Carlo Simulations
Caro-Ortiz, S., Zuidema, E., Dekker, D., Rigutto, M., Dubbeldam, D. & Vlugt, T. J. H., 2020, In: Journal of Physical Chemistry C. 124, 39, p. 21782-21797Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile9 Citations (Scopus)147 Downloads (Pure) -
Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method
Hens, R., Rahbari, A., Caro-Ortiz, S., Dawass, N., Erdős, M., Poursaeidesfahani, A., Salehi, H. S., Celebi, A. T., Ramdin, M., Moultos, O. A., Dubbeldam, D. & Vlugt, T. J. H., 2020, In: Journal of Chemical Information and Modeling. 60, 6, p. 2678-2682Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile29 Citations (Scopus)106 Downloads (Pure) -
Effects of Framework Flexibility on the Adsorption and Diffusion of Aromatics in MFI-Type Zeolites
Caro-Ortiz, S., Zuidema, E., Rigutto, M., Dubbeldam, D. & Vlugt, T. J. H., 2020, In: Journal of Physical Chemistry C. 124, 44, p. 24488-24499Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile18 Citations (Scopus)102 Downloads (Pure) -
2021
Competitive Adsorption of Xylenes at Chemical Equilibrium in Zeolites
Caro Ortiz, S. A., Zuidema, E., Rigutto, M., Dubbeldam, D. & Vlugt, T. J. H., 2021, In: The Journal of Physical Chemistry C. 125, 7, p. 4155-4174Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile9 Citations (Scopus)75 Downloads (Pure)