Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Unexpected composition dependence of the first sharp diffraction peak in
  an alcohol-aldehyde liquid mixture: n-pentanol and pentanal   The total scattering structure factors of pure liquid n-pentanol, pentanal,
and 5 of their mixtures, as determined by high energy synchrotron X-ray
diffraction experiments, are presented. For the interpretation of measured
data, molecular dynamics computer simulations are performed, utilizing
'all-atom' type force fields. The diffraction signals in general resemble each
other over most of the monitored Q range above 1 ${\AA}^{-1}$, but the absolute
values of the intensities of the small-angle scattering maximum ('pre-peak',
'first sharp diffraction peak'), around 0.6 ${\AA}^{-1}$, change in an
unexpected fashion, non-linearly with the composition. MD simulations are not
able to reproduce this low-Q behavior; on the other hand, they do reproduce the
experimental diffraction data above 1 ${\AA}^{-1}$ rather accurately. Partial
radial distribution functions are calculated based on the atomic coordinates in
the simulated configurations. Inspection of the various O-O and O-H partial
radial distribution functions clearly shows that both the alcoholic and the
aldehydic oxygens form hydrogen bonds with the hydrogen atoms of the alcoholic
OH-group.

28
The categories of this paper are: alg-geom
12
The categories of this paper are: nucl-th
0
The categories of this paper are: hep-ph
31
The categories of this paper are: ao-sci
7
The categories of this paper are: hep-th
26
The categories of this paper are: bayes-an
37
The categories of this paper are: supr-con
10
The categories of this paper are: q-bio
8
The categories of this paper are: hep-ex
24
The categories of this paper are: dg-ga
17
The categories of this paper are: q-fin
1
The categories of this paper are: cs
19
The categories of this paper are: eess
21
The categories of this paper are: adap-org
33
The categories of this paper are: plasm-ph
5
The categories of this paper are: gr-qc