2013

Molecular simulation study of the competitive adsorption of H2O and CO2 in zeolite 13X

L. Joos, J. A. Swisher, and B. Smit, Molecular simulation study of the competitive adsorption of H2O and CO2 in zeolite 13X Langmuir 29 (51), 15936 (2013)  

Probing Adsorption Interactions In Metal-Organic Frameworks Using X-ray Spectroscopy

W. S. Drisdell, R. Poloni, T. M. McDonald, J. R. Long, B. Smit, J. B. Neaton, D. G. Prendergast, and J. B. Kortright, Probing Adsorption Interactions In Metal-…

Methane storage capabilities of diamond analogues

M. Haranczyk, L.-C. Lin, K. Lee, R. L. Martin, J. Neaton, and B. Smit, Methane storage capabilities of diamond analogues PCCP  (2013) http://dx.doi.org/10.1039/…

Small scale membrane mechanics

P. Rangamani, A. Benjamini, A. Agrawal, B. Smit, D. Steigmann, and G. Oster, Small scale membrane mechanics Biomech Model Mechanobiol, 1 (2013) http://dx.doi.…

Modeling Methane Adsorption in Interpenetrating Porous Polymer Networks

R. L. Martin, M. N. Shahrak, J. A. Swisher, C. M. Simon, J. P. Sculley, H.-C. Zhou, B. Smit, and M. Haranczyk, Modeling Methane Adsorption in Interpenetrating …

Mapping of Functional Groups in Metal-Organic Frameworks

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Xueqian Kong, Hexiang Deng, Fangyong Yan, Jihan Kim, Joseph A. Swisher, Berend Smit, Omar M. Yaghi, Jeffrey A. Reimer, Mapping of Functional Groups in Metal-…

At Berkeley, we recycle everything but CO2 (Editorial)

B. Smit, At Berkeley, we recycle everything but CO2 Greenhouse Gas Sci Technol. 3, 1 (2013) http://dx.doi.org/10.1002/ghg.1352

Research on carbon capture …

On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53 2

A. R. Ghysels, L. Vanduyfhuys, M. Vandichel, M. Waroquier, V. Van Speybroeck, and B. Smit, On the Thermodynamics of Framework Breathing: A Free Energy Model …

Large-scale Screening of Zeolite Structures for CO2 Membrane Separations

J. Kim, M. Abouelnasr, L.-C. Lin, and B. Smit, Large-scale Screening of Zeolite Structures for CO2 Membrane Separations J Am Chem Soc 135 (20), 7545 (2013)

The Mechanism of Carbon Dioxide Adsorption in an Alkylamine-Functionalized Metal-Organic Framework

N. Planas, A. L. Dzubak, R. Poloni, L.-C. Lin, A. McManus, T. M. McDonald, J. B. Neaton, J. R. Long, B. Smit, and L. Gagliardi, The Mechanism of Carbon Dioxide …

Mail-Order Metal–Organic Frameworks (MOFs): Designing Isoreticular MOF-5 Analogues Comprising Commercially Available Organic Molecules 2

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R. L. Martin, L.-C. Lin, K. Jariwala, B. Smit, and M. Haranczyk, Mail-Order Metal–Organic Frameworks (MOFs): Designing Isoreticular MOF-5 Analogues Comprising …

New materials for methane capture from dilute and medium-concentration sources

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J. Kim, A. Maiti, L.-C. Lin, J. K. Stolaroff, B. Smit, and R. D. Aines, New materials for methane capture from dilute and medium-concentration sources Nat Comm

Understanding CO2 Dynamics in Metal–Organic Frameworks wit Open Metal Sites 2

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Li-Chiang Lin, Jihan Kim, Xueqian Kong, Eric Scott, Thomas M. McDonald, Jeffrey R. Long, Jeffrey A. Reimer, and Berend Smit, Angew. Chem. Int. Ed.,  52 (16), …

Evaluating mixture adsorption models using molecular simulation 2

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J. A. Swisher, L.-C. Lin, J. Kim, and B. Smit, Evaluating mixture adsorption models using molecular simulation AIChE J., 59(8) 3054–3064 (2013) http://dx.doi.…

Understanding the effect of side groups in ionic liquids on carbon-capture properties: a combined experimental and theoretical effort

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F. Yan, M. Lartey, K. Damodaran, E. Albenze, R. L. Thompson, J. Kim, M. Haranczyk, H. B. Nulwala, D. R. Luebke, and B. Smit, Understanding the effect of side …

Lipid mediated packing of transmembrane helices - a dissipative particle dynamics study

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A. Benjamini and B. Smit, Lipid mediated packing of transmembrane helices - a dissipative particle dynamics study  Soft Matt. 9 (9), 2673 (2013) http://dx.doi.…


© Berend Smit 2013