Non-equilibrium thermodynamics for the description of transport of heat and mass across a zeolite membrane

S.K. Schnell , T.J.H. Vlugt , S. Kjelstrup
Handbook of Membrane Reactors#R##N#Fundamental Materials Science, Design and Optimisation 627 -645

1
2013
Finite-size effects of Kirkwood–Buff integrals from molecular simulations

N. Dawass , P. Krüger , S. K. Schnell , D. Bedeaux
Molecular Simulation 44 ( 7) 599 -612

25
2018
Diffusion Coefficients from Molecular Dynamics Simulations in Binary and Ternary Mixtures

Xin Liu , Sondre K. Schnell , Jean-Marc Simon , Peter Krüger
International Journal of Thermophysics 34 ( 7) 1169 -1196

50
2013
Thermal Conductivity in Zeolites Studied by Non-equilibrium Molecular Dynamics Simulations

Sondre K. Schnell , Thijs J. H. Vlugt
International Journal of Thermophysics 34 ( 7) 1197 -1213

4
2013
Thermodynamics of a small system in a μT reservoir

Sondre K. Schnell , Thijs J.H. Vlugt , Jean-Marc Simon , Dick Bedeaux
Chemical Physics Letters 504 ( 4) 199 -201

58
2011
Partial molar enthalpies and reaction enthalpies from equilibrium molecular dynamics simulation

Signe Kjelstrup , Thijs J. H. Vlugt , Jean-Marc Simon , Sondre K. Schnell
Journal of Chemical Physics 141 ( 14) 144501 -144501

17
2014
Correction: CO2 induced phase transitions in diamine-appended metal-organic frameworks.

Bess Vlaisavljevich , Sondre K. Schnell , Allison L. Dzubak , Kyuho Lee
Chemical Science 10 ( 35) 8265 -8272

2019
What Are the Best Materials To Separate a Xenon/Krypton Mixture?

Cory M. Simon , Rocio Mercado , Sondre K. Schnell , Berend Smit
Chemistry of Materials 27 ( 12) 4459 -4475

210
2015
Dipentamethylene Thiuram Tetrasulfide-Based Cathodes for Rechargeable Magnesium Batteries

Henning Kaland , Jacob Hadler-Jacobsen , Frode H Fagerli , Nils P Wagner
ACS Applied Energy Materials 3 ( 11) 10600 -10610

1
2020
CO2 induced phase transitions in diamine-appended metal–organic frameworks

Bess Vlaisavljevich , Samuel O. Odoh , Sondre K. Schnell , Allison L. Dzubak
Chemical Science 6 ( 9) 5177 -5185

30
2015
Correction to “Fick Diffusion Coefficients of Liquid Mixtures Directly Obtained from Equilibrium Molecular Dynamics”

Xin Liu , Sondre K. Schnell , Jean-Marc Simon , Dick Bedeaux
Journal of Physical Chemistry B 116 ( 20) 6070 -6070

4
2012
Fick Diffusion Coefficients of Liquid Mixtures Directly Obtained From Equilibrium Molecular Dynamics

Xin Liu , Sondre K. Schnell , Jean-Marc Simon , Dick Bedeaux
Journal of Physical Chemistry B 115 ( 44) 12921 -12929

48
2011
Thermodynamics of small systems embedded in a reservoir: a detailed analysis of finite size effects

Sondre K. Schnell , Thijs J.H. Vlugt , Jean-Marc Simon , Dick Bedeaux
Molecular Physics 110 1069 -1079

48
2012
A direct method for calculating thermodynamic factors for liquid mixtures using the Permuted Widom test particle insertion method

Sayee Prasaad Balaji , Sondre K. Schnell , Erin S. McGarrity , Thijs J.H. Vlugt
Molecular Physics 111 ( 2) 287 -296

10
2013
Translational and Rotational Motion of C8 Aromatics Adsorbed in Isotropic Porous Media (MOF-5): NMR Studies and MD Simulations

Velencia J. Witherspoon , Lucy M. Yu , Sudi Jawahery , Efrem Braun
Journal of Physical Chemistry C 121 ( 28) 15456 -15462

26
2017
Calculating thermodynamic factors of ternary and multicomponent mixtures using the Permuted Widom test particle insertion method

Sayee Prasaad Balaji , Sondre K. Schnell , Thijs J. H. Vlugt
Theoretical Chemistry Accounts 132 ( 3) 1 -8

4
2013
Fick Diffusion Coefficients in Ternary Liquid Systems from Equilibrium Molecular Dynamics Simulations

Xin Liu , Ana Martín-Calvo , Erin McGarrity , Sondre K. Schnell
Industrial & Engineering Chemistry Research 51 ( 30) 10247 -10258

51
2012
High-throughput computational screening of nanoporous adsorbents for CO2 capture from natural gas

Efrem Braun , Alexander F. Zurhelle , Wouter Thijssen , Sondre K. Schnell
Molecular Systems Design & Engineering 1 ( 2) 175 -188

48
2016
Cryogenic vs. absorption biogas upgrading in liquefied biomethane production – An energy efficiency analysis

Sayed Ebrahim Hashemi , Shiplu Sarker , Kristian M. Lien , Sondre K. Schnell
Fuel 245 294 -304

12
2019
Kirkwood–Buff Integrals for Finite Volumes

Peter Krüger , Sondre K. Schnell , Dick Bedeaux , Signe Kjelstrup
Journal of Physical Chemistry Letters 4 ( 2) 235 -238

175
2013