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Hirad S. Salehi
Hirad S. Salehi
Verified email at tudelft.nl
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Cited by
Year
Computing solubility parameters of deep eutectic solvents from Molecular Dynamics simulations
HS Salehi, M Ramdin, OA Moultos, TJH Vlugt
Fluid Phase Equilibria 497, 10-18, 2019
572019
Computation of gas solubilities in choline chloride urea and choline chloride ethylene glycol deep eutectic solvents using Monte Carlo simulations
HS Salehi, R Hens, OA Moultos, TJH Vlugt
Journal of Molecular Liquids 316, 113729, 2020
402020
Brick-CFCMC: Open source software for Monte Carlo simulations of phase and reaction equilibria using the continuous fractional component method
R Hens, A Rahbari, S Caro-Ortiz, N Dawass, M Erdős, ...
Journal of Chemical Information and Modeling 60 (6), 2678-2682, 2020
402020
Thermodynamic, transport, and structural properties of hydrophobic deep eutectic solvents composed of tetraalkylammonium chloride and decanoic acid
H S Salehi, AT Celebi, TJH Vlugt, OA Moultos
The Journal of Chemical Physics 154 (14), 2021
212021
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
202021
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
182021
Interfacial properties of hydrophobic deep eutectic solvents with water
HS Salehi, OA Moultos, TJH Vlugt
The Journal of Physical Chemistry B 125 (44), 12303-12314, 2021
162021
Water diffusion mechanisms in bitumen studied through molecular dynamics simulations
L Ma, HS Salehi, R Jing, S Erkens, TJH Vlugt, OA Moultos, ML Greenfield, ...
Construction and Building Materials 409, 133828, 2023
42023
Molecular Simulation of Deep Eutectic Solvents
HS Salehi
2022
Supplementary Material for:“Vapor pressures and vapor phase compositions of choline chloride urea and choline chloride ethylene glycol deep eutectic solvents from molecular …
HS Salehi, HM Polat, F de Meyer, C Houriez, C Coquelet, TJH Vlugt, ...
Supporting Information for:“Interfacial Properties of Hydrophobic Deep Eutectic Solvents with Water”
HS Salehi, OA Moultos, TJH Vlugt
Supplementary Material for:“Thermodynamic, transport, and structural properties of hydrophobic deep eutectic solvents composed of tetraalkylammonium chloride and decanoic acid”
HS Salehi, AT Celebi, TJH Vlugt, OA Moultos
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