Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Prediction of polymer mixture compatibility by Monte Carlo simulation of
  intermolecular binary interactions   We have evaluated conformational and orientational averages of binary
interaction integrals for pairs of chains constituting atomistic
representations of short polymer molecules. By considering A-A, B-B and A-B
pairs, we relate these results with the Flory-Huggins parameter for the A-B
mixtures. This parameter is commonly accepted as a good indicator of
compatibility. Since the method ignores the simultaneous interactions with
other molecules in the mixture, the local environment is approximately
described by introducing an effective medium dielectric constant whose value is
conveniently parameterized. The results for four different real systems are
compared with data obtained from experimental neutron scattering data. The
method qualitatively predicts the sign and variation with temperature in the
four different cases, also showing a reasonable quantitative agreement in some
of the cases. Its performance is discussed in comparison with a standard method
that evaluates the Flory-Huggins parameter by calculating an average of the
intermolecular energy of two molecules in contact, taking also into account
their off-lattice Flory-Huggins coordination numbers.

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The categories of this paper are: q-bio
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The categories of this paper are: atom-ph
2
The categories of this paper are: math
17
The categories of this paper are: q-fin
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The categories of this paper are: hep-ex
24
The categories of this paper are: dg-ga
1
The categories of this paper are: cs
26
The categories of this paper are: bayes-an
36
The categories of this paper are: cmp-lg
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The categories of this paper are: econ
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The categories of this paper are: math-ph
12
The categories of this paper are: nucl-th
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The categories of this paper are: cond-mat
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The categories of this paper are: alg-geom
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The categories of this paper are: comp-gas
33
The categories of this paper are: plasm-ph