On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53

Journal Article · Wed May 22 00:00:00 EDT 2013 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/jp311601q· OSTI ID:1382456

Ghysels, An ^[1]; Vanduyfhuys, Louis ^[2]; Vandichel, Matthias ^[2]; Waroquier, Michel ^[2]; Van Speybroeck, Veronique ^[2]; Smit, Berend ^[3]

---

1. Center for Molecular Modeling, Ghent University, Technologiepark 903, 9052 Zwijnaarde, Belgium; Department of Chemical and Biomolecular Engineering, University of California, Berkeley, 101B Gilman Hall, Berkeley, California 94720-1462, United States
2. Center for Molecular Modeling, Ghent University, Technologiepark 903, 9052 Zwijnaarde, Belgium
3. Department of Chemical and Biomolecular Engineering, University of California, Berkeley, 101B Gilman Hall, Berkeley, California 94720-1462, United States

• Research Organization: Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• DOE Contract Number: SC0001015
• OSTI ID: 1382456
• Journal Information: Journal of Physical Chemistry. C, Vol. 117, Issue 22; Related Information: CGS partners with University of California, Berkeley; University of California, Davis; Lawrence Berkeley National Laboratory; University of Minnesota; National Energy Technology Laboratory; Texas A&M University; ISSN 1932-7447
• Publisher: American Chemical Society
• Country of Publication: United States
• Language: English

Related Subjects

membrane
carbon capture
materials and chemistry by design
synthesis (novel materials)
synthesis (self-assembly)
synthesis (scalable processing)