Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Equilibrium conformations and surface charge regulation of spherical
  polymer brushes in stretched regimes   In the present work, we study the equilibrium conformations of linear
polyelectrolytes tethered onto a spherical, oppositely charged core in
equilibrium with an ionic reservoir of fixed concentration. Particular focus is
placed on the situation of stretched chains, where the monomer concentration is
known to display an inverse square-law decay far away from the spherical
surface, which is then further extrapolated all the way down to the grafting
core. While the equilibrium distributions of mobile ions are computed in the
framework of a classical Density Functional Theory (cDFT) that incorporates
both their size and electrostatic correlations within the grafted
polyelectrolyte, the equilibrium configuration of the latter is described by
its averaged radius of gyration, which is taken as a variational parameter that
guarantees mechanical equilibrium across the polymer-solvent interface. The
averaged particle size is then analyzed over a wide range of polymerization
degrees, ionic concentrations and functionality of the polymer backbones. Two
distinct regimes can be identified: at high ionic strengths, swelling of the
grafted polymers is dominated by ionic entropic contribution as well as polymer
size effects, whereas at low ionic concentrations a balance between
electrostatic and entropic effects is the main driven mechanism for particle
stretching. Using Monte Carlo simulations, we then proceed to investigate the
effects of charge regulation when the brush core is further decorated with
active functional sites randomly distributed over its surface, which act as
receptors onto which dissolved acidic ions can be adsorbed.

13
The categories of this paper are: quant-ph
30
The categories of this paper are: q-alg
25
The categories of this paper are: patt-sol
22
The categories of this paper are: chao-dyn
27
The categories of this paper are: comp-gas
9
The categories of this paper are: nlin
26
The categories of this paper are: bayes-an
17
The categories of this paper are: q-fin
0
The categories of this paper are: hep-ph
32
The categories of this paper are: atom-ph
20
The categories of this paper are: acc-phys
15
The categories of this paper are: nucl-ex
3
The categories of this paper are: physics
1
The categories of this paper are: cs
6
The categories of this paper are: astro-ph
29
The categories of this paper are: funct-an