Blar i NTNU Open på forfatter "Braun, Efrem"
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High-throughput computational screening of nanoporous adsorbents for CO 2 capture from natural gas
Braun, Efrem; Zurhelle, Alexander; Thijssen, Wouter; Schnell, Sondre Kvalvåg; Lin, Li-Chiang; Kim, Jihan; Thompson, Joshua; Smit, Berend (Journal article; Peer reviewed, 2016)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 ... -
Nanoporous materials can tune the critical point of a pure substance
Braun, Efrem; Chen, Joseph J.; Schnell, Sondre Kvalvåg; Lin, Li-Chiang; Reimer, Jeffrey A.; Smit, Berend (Journal article; Peer reviewed, 2015)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 ... -
Translational and Rotational Motion of C8 Aromatics Adsorbed in Isotropic Porous Media (MOF-5): NMR Studies and MD Simulations
Witherspoon, Velencia J.; Yu, Lucy M.; Jawahery, Sudi; Braun, Efrem; Moosavi, Seyed Mohamad; Schnell, Sondre Kvalvåg; Smit, Berend; Reimer, Jeffrey A. (Journal article; Peer reviewed, 2017)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 ...