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Research Output

  • 12 Article
  • 1 Dissertation (TU Delft)
2020
Open Access
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1 Citation (Scopus)
3 Downloads (Pure)
Open Access
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2 Citations (Scopus)
21 Downloads (Pure)

Multiple linear regression and thermodynamic fluctuations are equivalent for computing thermodynamic derivatives from molecular simulation

Rahbari, A., Josephson, T. R., Sun, Y., Moultos, O. A., Dubbeldam, D., Siepmann, J. I. & Vlugt, T. J. H., 2020, In : Fluid Phase Equilibria. 523, 8 p., 112785.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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1 Downloads (Pure)

Thermodynamics of Industrially Relevant Systems: Method Development and Applications

Rahbari, R., 2020, 379 p.

Research output: ThesisDissertation (TU Delft)

Open Access
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42 Downloads (Pure)
2019

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

Open Access
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7 Citations (Scopus)
122 Downloads (Pure)

Improving the accuracy of computing chemical potentials in CFCMC simulations

Rahbari, A., Hens, R., Dubbeldam, D. & Vlugt, T. J. H., 2019, In : Molecular Physics. 117, 23-24, p. 3493-3508

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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5 Citations (Scopus)
13 Downloads (Pure)

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

Open Access
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3 Citations (Scopus)
42 Downloads (Pure)
2018

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

Open Access
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9 Citations (Scopus)
28 Downloads (Pure)

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

Open Access
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9 Citations (Scopus)
88 Downloads (Pure)

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

Open Access
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10 Citations (Scopus)
71 Downloads (Pure)

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

Open Access
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11 Citations (Scopus)
77 Downloads (Pure)
2017

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

Open Access
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15 Citations (Scopus)
18 Downloads (Pure)

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

Open Access
File
18 Citations (Scopus)
18 Downloads (Pure)