In an attempt to examine novel adsorbents in accessing
an ideal
adsorption system, this study aimed to help understand the main and
secondary characteristics of a Moroccan natural clay. X-ray fluorescence,
infrared, and scanning electron microscopy with energy-dispersive
X-ray spectroscopy analysis (SEM-EDX) were used for the identification.
The findings demonstrate that this Clay is composed of a mixture of
quartz, calcite, magnetite, and Rutile in very high proportions. SEM
revealed the presence of clay grains in the presence of fine particles
and irregularly contoured sticks. The results of semiquantitative
detection by EDX also reveal the presence of certain mineral species
(Si, Al, Mg, Fe, K, Cl, S, Ca, and Na). The exploited kinetic technique
was achieved using two different kinetic models: first- and second-order
rate laws. Commensurate to the obtained results, the 2-sec order model better described the adsorption of dye MB onto the natural
clay. The results confirmed that the adsorption process followed the
Langmuir model with the high coefficient correlation obtained which
are very close to 1. In the sequel, DFT results revealed that the
HOMO and LUMO surfaces of the methylene blue dye are mostly distributed
on all dye parts, reflecting possible strong interactions with the
clay. The quantum descriptors investigated in this study identify
the most nucleophilic and electrophilic centers that can be used to
suggest a suitable mechanism for the adsorption of the dye by the
clay. The values of enthalpy ΔH
0 and entropy ΔS
0 of activation
were −15.88 kJ mol–1 and −0.021 J
mol–1 K–1, respectively, show
that the nature of the adsorption process of MB on clay is exothermic
and the order of distribution of the dye molecules on the adsorbent
increases with respect to that of the solution so the negative values
of ΔG
0 (from −9. 62 to −8.99
kJ mol–1) indicate that the adsorption process is
spontaneous.