Author Topic: amorphous polymer can be used as adsorbent  (Read 907 times)

h1h2x3

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amorphous polymer can be used as adsorbent
« on: February 17, 2022, 07:32:50 AM »
I notice that the framwork as adsorbent are created from cif file because they are all crystal. If I want to use noncrystalline polymer as a framework, how can I creat such input file for polymer in raspa?

David Dubbeldam

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Re: amorphous polymer can be used as adsorbent
« Reply #1 on: March 14, 2022, 06:58:12 PM »
The positions of the atoms of the framework are 'input'. There might be tools available (builders) that create these initial structures for you.