The synergetic improvement effect of the polyaniline
(PANI) hybridization
process on the adsorption of rhodamine B dye (RB) by PANI/coal hybrid
material (PANI/C) has been evaluated using both traditional equilibrium
modeling and advanced isotherm investigations. The composite was prepared
by polymerizing polyaniline in the presence of coal fractions with
a surface area of 27.7 m
2
/g. The PANI/C hybrid has an improved
capacity to adsorb RB dye (423.5 mg/g) in comparison to coal particles
(254.3 mg/g). The maintained increase in the elimination properties
of PANI/C has been illustrated using the steric characteristics of
active site density (Nm) as well as the total number of adsorbed RB
on a single active site (n). However, the incorporation of PANI did
not yield any substantial impact on the existing active sites’
quantity, but the hybridization processes greatly influenced the selectivity
and affinity of each active site, in addition to the aggregation characteristics
of the dye as it interacts with the composite’s surface. Whereas
raw coal can only adsorb three molecules of RB, each active site throughout
the PANI/C surface can adsorb approximately eight RB molecules. This
is also evidence of RB dye adsorption in a vertical arrangement, which
involves multimolecular processes. The Gaussian energy (4.01–5.59
kJ/mol) and adsorption energy (−4.34–4.68 kJ/mol) revealed
the controllable impact of physical mechanisms. These mechanisms may
include van der Waals forces, dipole–dipole interactions, and
hydrogen bonds (<30 kJ/mol). The thermodynamic functions, such
as enthalpy, internal energy, and entropy, that have been assessed
provide evidence supporting the exothermic and spontaneous nature
of the RB uptake processes by PANI/C.