Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Transport properties of Gamma-Aminobutyric Acid in water   In the present work, molecular dynamics study of diffusion of Gamma
Aminobutyric acid in water at different temperatures 298.2 K, 303.2 K, 313.2 K,
323.2 K, 333.2 K have been performed. The solute and solvent is modeled using
OPLS AA platform. The structure of the system is analyzed using RDF of
different atom or molecule pairs. In all the cases, at least two or more peaks
were obtained which suggests appreciable amount of interaction between atoms
and molecules. The self diffusion coefficient of GABA and water is calculated
from mean square displacement (MSD) plot using Einstein's relation. Binary
diffusion coefficient is obtained from self diffusion coefficient using
Darken's relation. Binary diffusion coefficient agrees well with the previously
reported experimental data within an error of around 7%. The temperature
dependence of self diffusion coefficients of GABA in water follows the
Arrhenius behaviour. With the help of Arrhenius plot, we estimate the
activation energy. The activation energy of water agrees well with the
previously reported experimental data within an error of around 17%.

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The categories of this paper are: quant-ph
37
The categories of this paper are: supr-con
18
The categories of this paper are: econ
28
The categories of this paper are: alg-geom
11
The categories of this paper are: hep-lat
7
The categories of this paper are: hep-th
15
The categories of this paper are: nucl-ex
21
The categories of this paper are: adap-org
10
The categories of this paper are: q-bio
22
The categories of this paper are: chao-dyn
34
The categories of this paper are: chem-ph
20
The categories of this paper are: acc-phys
0
The categories of this paper are: hep-ph
17
The categories of this paper are: q-fin
6
The categories of this paper are: astro-ph
8
The categories of this paper are: hep-ex