Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Study on the free corrosion potential at an interface between an Al
  electrode and an acidic aqueous NaCl solution through density functional
  theory combined with the reference interaction site model   We investigated the free corrosion potential at an interface between an Al
electrode and an aqueous NaCl solution (NaCl(aq)) under acidic conditions via
density functional theory combined with the effective screening medium and
reference interaction site model (ESM-RISM). Firstly, the electrode potentials
for the anodic and cathodic corrosion reactions were obtained from the grand
potential profile as a function of the electron chemical potential at the
interface. Thereafter, we determined the free corrosion potential using the
Tafel extrapolation method. The results of the free corrosion potential were
consistent with previous experimental data. By controlling the pH of the
NaCl(aq), we determined the pH dependence of the free corrosion potential, and
the results agreed well with the experimental results. Our results indicated
that the ESM-RISM method duly described the environmental effect of an acidic
solution and precisely determined the free corrosion potential. Therefore, the
application of this method presents an efficient approach toward calculating
the free corrosion potential for various reactions.

11
The categories of this paper are: hep-lat
22
The categories of this paper are: chao-dyn
5
The categories of this paper are: gr-qc
10
The categories of this paper are: q-bio
26
The categories of this paper are: bayes-an
27
The categories of this paper are: comp-gas
29
The categories of this paper are: funct-an
8
The categories of this paper are: hep-ex
16
The categories of this paper are: stat
15
The categories of this paper are: nucl-ex
9
The categories of this paper are: nlin
14
The categories of this paper are: math-ph
24
The categories of this paper are: dg-ga
0
The categories of this paper are: hep-ph
21
The categories of this paper are: adap-org
30
The categories of this paper are: q-alg