Sondre K. Schnell
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Cooperative insertion of CO2 in diamine-appended metal-organic frameworks
TM McDonald, JA Mason, X Kong, ED Bloch, D Gygi, A Dani, V Crocellŕ, ...
Nature 519 (7543), 303-308, 2015
6712015
Kirkwood–Buff integrals for finite volumes
P Krüger, SK Schnell, D Bedeaux, S Kjelstrup, TJH Vlugt, JM Simon
J. Phys. Chem. Lett 4 (2), 235-238, 2013
1182013
What are the best materials to separate a xenon/krypton mixture?
CM Simon, R Mercado, SK Schnell, B Smit, M Haranczyk
Chemistry of Materials 27 (12), 4459-4475, 2015
1162015
Calculating thermodynamic properties from fluctuations at small scales
SK Schnell, X Liu, JM Simon, A Bardow, D Bedeaux, TJH Vlugt, ...
The Journal of Physical Chemistry B 115 (37), 10911-10918, 2011
1002011
Thermodynamics of a small system in a μT reservoir
SK Schnell, TJH Vlugt, JM Simon, D Bedeaux, S Kjelstrup
Chemical Physics Letters 504 (4), 199-201, 2011
722011
Diffusion coefficients from molecular dynamics simulations in binary and ternary mixtures
X Liu, SK Schnell, JM Simon, P Krüger, D Bedeaux, S Kjelstrup, A Bardow, ...
International Journal of Thermophysics 34 (7), 1169-1196, 2013
672013
Thermodynamics of small systems embedded in a reservoir: a detailed analysis of finite size effects
SK Schnell, TJH Vlugt, JM Simon, D Bedeaux, S Kjelstrup
Molecular Physics 110 (11-12), 1069-1079, 2012
662012
Fick diffusion coefficients in ternary liquid systems from equilibrium molecular dynamics simulations
X Liu, A Martín-Calvo, E McGarrity, SK Schnell, S Calero, JM Simon, ...
Industrial & Engineering Chemistry Research 51 (30), 10247-10258, 2012
642012
Fick diffusion coefficients of liquid mixtures directly obtained from equilibrium molecular dynamics
X Liu, SK Schnell, JM Simon, D Bedeaux, S Kjelstrup, A Bardow, ...
The Journal of Physical Chemistry B 115 (44), 12921-12929, 2011
642011
How to apply the Kirkwood–Buff theory to individual species in salt solutions
SK Schnell, P Englebienne, JM Simon, P Krüger, SP Balaji, S Kjelstrup, ...
Chemical Physics Letters 582, 154-157, 2013
472013
CO 2 induced phase transitions in diamine-appended metal–organic frameworks
B Vlaisavljevich, SO Odoh, SK Schnell, AL Dzubak, K Lee, N Planas, ...
Chemical Science 6 (9), 5177-5185, 2015
292015
Finite-size effects of Kirkwood–Buff integrals from molecular simulations
N Dawass, P Krüger, SK Schnell, D Bedeaux, S Kjelstrup, JM Simon, ...
Molecular Simulation 44 (7), 599-612, 2018
272018
High-throughput computational screening of nanoporous adsorbents for CO 2 capture from natural gas
E Braun, AF Zurhelle, W Thijssen, SK Schnell, LC Lin, J Kim, ...
Molecular Systems Design & Engineering 1 (2), 175-188, 2016
242016
Partial molar enthalpies and reaction enthalpies from equilibrium molecular dynamics simulation
SK Schnell, R Skorpa, D Bedeaux, S Kjelstrup, TJH Vlugt, JM Simon
The Journal of chemical physics 141 (14), 144501, 2014
242014
Size and shape effects on the thermodynamic properties of nanoscale volumes of water
BA Strřm, JM Simon, SK Schnell, S Kjelstrup, J He, D Bedeaux
Physical Chemistry Chemical Physics 19 (13), 9016-9027, 2017
182017
External surface adsorption on silicalite-1 zeolite studied by molecular simulation
E García-Pérez, SK Schnell, JM Castillo, S Calero, S Kjelstrup, ...
The Journal of Physical Chemistry C 115 (31), 15355-15360, 2011
172011
A direct method for calculating thermodynamic factors for liquid mixtures using the Permuted Widom test particle insertion method
SP Balaji, SK Schnell, ES McGarrity, TJH Vlugt
Molecular Physics 111 (2), 287-296, 2013
162013
Translational and Rotational Motion of C8 Aromatics Adsorbed in Isotropic Porous Media (MOF-5): NMR Studies and MD Simulations
VJ Witherspoon, LM Yu, S Jawahery, E Braun, SM Moosavi, SK Schnell, ...
The Journal of Physical Chemistry C 121 (28), 15456-15462, 2017
142017
Nanoporous Materials Can Tune the Critical Point of a Pure Substance
E Braun, JJ Chen, SK Schnell, LC Lin, JA Reimer, B Smit
Angewandte Chemie 127 (48), 14557-14560, 2015
142015
Assessing the coupled heat and mass transport of hydrogen through a palladium membrane
R Skorpa, M Voldsund, M Takla, SK Schnell, D Bedeaux, S Kjelstrup
Journal of Membrane Science 394, 131-139, 2012
132012
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Artikelen 1–20