In Silico Design of Porous Polymer Networks: High Throughput Screening for Methane Storage Materials

Richard L. Martin, Cory M. Simon, Berend Smit & Maciej Haranczyk
Porous polymer networks (PPNs) are a class of advanced porous materials that combine the advantages of cheap and stable polymers with the high surface areas and tunable chemistry of metal–organic frameworks. They are of particular interest for gas separation or storage applications, for instance, as methane adsorbents for a vehicular natural gas tank or other portable applications. PPNs are self-assembled from distinct building units; here, we utilize commercially available chemical fragments and two experimentally known...
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