Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Bispropylurea bridged polysilsesquioxane: A microporous MOF-like
  material for molecular recognition   Microporous organosilicas assembled from polysilsesquioxane (POSS) building
blocks are promising materials that are yet to be explored in-depth. Here, we
investigate the processing and molecular structure of bispropylurea bridged
POSS (POSS-urea), synthesised through the acidic condensation of
1,3-bis(3-(triethoxysilyl)propyl)urea (BTPU). Experimentally, we show that
POSS-urea has excellent functionality for molecular recognition toward
acetonitrile with an adsorption level of 74 mmol/g, which compares favourably
to MOFs and zeolites, with applications in volatile organic compounds (VOC).
The acetonitrile adsorption capacity was 132-fold higher relative to adsorption
capacity for toluene, which shows the pores are highly selective towards
acetonitrile adsorption due to their size and arrangement. Theoretically, our
tight-binding density functional and molecular dynamics calculations
demonstrated that this BTPU based POSS is microporous with an irregular
placement of the pores. Structural studies confirm maximal pore sizes of around
1 nm, with POSS cages possessing an approximate edge length of approximately
3.16 Angstrom

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The categories of this paper are: mtrl-th
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The categories of this paper are: q-alg
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The categories of this paper are: acc-phys
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The categories of this paper are: stat
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The categories of this paper are: dg-ga
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The categories of this paper are: math-ph
0
The categories of this paper are: hep-ph
1
The categories of this paper are: cs
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The categories of this paper are: nucl-ex
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The categories of this paper are: cmp-lg
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The categories of this paper are: hep-th
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The categories of this paper are: chem-ph
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The categories of this paper are: patt-sol
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The categories of this paper are: bayes-an
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The categories of this paper are: nlin
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The categories of this paper are: funct-an