1. 2019
  2. Effect of truncating electrostatic interactions on predicting thermodynamic properties of water–methanol systems

    Rahbari, A., Hens, R., Jamali, S. H., Ramdin, M., Dubbeldam, D. & Vlugt, T. J. H., 2019, In : Molecular Simulation. 45, 4-5, p. 336-350

    Research output: Contribution to journalArticleScientificpeer-review

  3. Improving the accuracy of computing chemical potentials in CFCMC simulations

    Rahbari, A., Hens, R., Dubbeldam, D. & Vlugt, T. J. H., 2019, In : Molecular Physics. 16 p.

    Research output: Contribution to journalArticleScientificpeer-review

  4. Solubility of water in hydrogen at high pressures: A molecular simulation study

    Rahbari, A., Brenkman, J., Hens, R., Ramdin, M., Van Den Broeke, L. J. P., Schoon, R., Henkes, R., Moultos, O. A. & Vlugt, T. J. H., 2019, In : Journal of Chemical and Engineering Data. 64, 9, p. 4103-4115

    Research output: Contribution to journalArticleScientificpeer-review

  5. 2018
  6. Adsorption equilibrium of nitrogen dioxide in porous materials

    Matito-Martos, I., Rahbari, A., Martin-Calvo, A., Dubbeldam, D., Vlugt, T. J. H. & Calero, S., 2018, In : Physical Chemistry Chemical Physics. 20, 6, p. 4189-4199

    Research output: Contribution to journalArticleScientificpeer-review

  7. Chemical potentials of water, methanol, carbon dioxide and hydrogen sulphide at low temperatures using continuous fractional component Gibbs ensemble Monte Carlo

    Rahbari, R., Poursaeidesfahani, A., Torres-Knoop, A., Dubbeldam, D. & Vlugt, T. J. H., 2018, In : Molecular Simulation. 44, 5, p. 405-414

    Research output: Contribution to journalArticleScientificpeer-review

  8. Combined Steam Reforming of Methane and Formic Acid To Produce Syngas with an Adjustable H2:CO Ratio

    Rahbari, A., Ramdin, M., Van Den Broeke, L. J. P. & Vlugt, T. J. H., 2018, In : Industrial and Engineering Chemistry Research. 57, 31, p. 10663-10674

    Research output: Contribution to journalArticleScientificpeer-review

  9. Computation of partial molar properties using continuous fractional component Monte Carlo

    Rahbari, A., Hens, R., Nikolaidis, I. K., Poursaeidesfahani, A., Ramdin, M., Economou, I. G., Moultos, O. A., Dubbeldam, D. & Vlugt, T. J. H., 2018, In : Molecular Physics: an international journal at the interface between chemistry and physics. 116, 21-22, p. 3331-3344

    Research output: Contribution to journalArticleScientificpeer-review

  10. 2017
  11. Computation of thermodynamic properties in the continuous fractional component Monte Carlo Gibbs ensemble

    Poursaeidesfahani, A., Rahbari, A., Torres-Knoop, A., Dubbeldam, D. & Vlugt, T. J. H., 2017, In : Molecular Simulation. 43, 3, p. 189-195

    Research output: Contribution to journalArticleScientificpeer-review

  12. Efficient application of continuous fractional component Monte Carlo in the reaction ensemble

    Poursaeidesfahani, A., Hens, R., Rahbari, R., Ramdin, M., Dubbeldam, D. & Vlugt, T., 2017, In : Journal of chemical theory and computation. 13, 9, p. 4452–4466

    Research output: Contribution to journalArticleScientificpeer-review

ID: 173691