Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Sarin and Air Permeation Through a Nanoporous Graphene   Sarin gas is a dangerous chemical warfare agent (CWA). It is a nerve agent
capable of bringing a person to death in about 15 minutes. A lethal
concentration of sarin molecules in air is about 30 mg/m3. Experimental
research on this gas requires very careful safety protocols for handling and
storage. Therefore, theoretical and computational studies on sarin gas are very
welcome and might provide important safe guides towards the management of this
lethal substance. In this work, we investigated the interactions between sarin,
air and nanoporous graphene, using tools of classical molecular dynamics
simulations. Aiming to cast some light in the possible sarin selective
filtration by graphene, we designed a bipartite simulation box with a porous
graphene nanosheet placed at the middle. Sarin and air molecules were initially
placed only on one side of the box so as to create an initial pressure towards
the passage of both to the other side. The box dimensions were chosen so that
the hole in the graphene was the only possible way through which sarin and air
molecules can get to the other side of the box. The number of molecules that
passed through the hole in graphene was monitored during 10 ns of simulation
and the results for different temperatures were compared. The results show
that, as far as the size of the holes are small, van der Waals forces between
graphene and the molecules play a significant role on keeping sarin near
graphene, at room temperature.

23
The categories of this paper are: solv-int
11
The categories of this paper are: hep-lat
29
The categories of this paper are: funct-an
7
The categories of this paper are: hep-th
32
The categories of this paper are: atom-ph
35
The categories of this paper are: mtrl-th
31
The categories of this paper are: ao-sci
25
The categories of this paper are: patt-sol
8
The categories of this paper are: hep-ex
22
The categories of this paper are: chao-dyn
28
The categories of this paper are: alg-geom
30
The categories of this paper are: q-alg
21
The categories of this paper are: adap-org
24
The categories of this paper are: dg-ga
16
The categories of this paper are: stat
36
The categories of this paper are: cmp-lg