Publications de Sondre Kvalvag Schnell

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

Seyedmohamad Moosavi, Berend Smit, Sudabeh Jawahery, Efrem Daniel Braun, Sondre Kvalvag Schnell

We combined nuclear magnetic resonance (NMR) and molecular dynamics (MD) simulation to study xylene behavior in MOF-5, probing the effects of adsorbate geometry in a weakly interacting model isotropic metal organic framework (MOF) system. We employed NMR d ...

American Chemical Society2017

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

Berend Smit, Efrem Daniel Braun, Sondre Kvalvag Schnell

With the growth of natural gas as an energy source, upgrading CO2-contaminated supplies has become increasingly important. Here we develop a single metric that captures how well an adsorbent performs the separation of CH4 and CO2, and we then use this metr ...

Royal Soc Chemistry2016

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

Berend Smit, Rocio Mercado, Sondre Kvalvag Schnell, Cory Matthew Simon

Accelerating progress in the discovery and deployment of advanced nanoporous materials relies on chemical insight and structure-property relationships for rational design. Because of the complexity of this problem, trial-and-error is heavily involved in th ...

American Chemical Society2015

CO2 induced phase transitions in diamine-appended metal-organic frameworks

Berend Smit, Sondre Kvalvag Schnell

Using a combination of density functional theory and lattice models, we study the effect of CO2 adsorption in an amine functionalized metal-organic framework. These materials exhibit a step in the adsorption isotherm indicative of a phase change. The press ...

Royal Soc Chemistry2015

Nanoporous Materials Can Tune the Critical Point of a Pure Substance

Berend Smit, Efrem Daniel Braun, Sondre Kvalvag Schnell

Molecular simulations and NMR relaxometry experiments demonstrate that pure benzene or xylene confined in isoreticular metal-organic frameworks (IRMOFs) exhibit true vapor-liquid phase equilibria where the effective critical point may be reduced by tuning ...

Wiley-Blackwell2015

Cooperative insertion of CO2 in diamine-appended metal-organic frameworks

Berend Smit, Sondre Kvalvag Schnell

The process of carbon capture and sequestration has been proposed as a method of mitigating the build-up of greenhouse gases in the atmosphere. If implemented, the cost of electricity generated by a fossil fuel-burning power plant would rise substantially, ...

Nature Publishing Group2015