Sie befinden Sich nicht im Netzwerk der Universität Paderborn. Der Zugriff auf elektronische Ressourcen ist gegebenenfalls nur via VPN oder Shibboleth (DFN-AAI) möglich. mehr Informationen...
The present study deals with the adsorption of both
As (V)
and
As (III)
from aqueous solution using pristine polythiophene (PTh). Here PTh was prepared by chemical oxidative polymerization method using FeCl
3
as an initiator and characterized by FTIR, XRD, and SEM-EDX. Batch experiments were conducted to assess the effects of several experimental parameters such as pH, initial
As
concentration, and adsorbent dose on the removal of Arsenic (
As
). At low initial
As
concentration (100 μg/L) with pH range 3, 5, and 7, the prepared PTh showed 100% removal efficiency for both
As (III)
and
As (V).
The adsorption process followed a pseudo-second-order kinetic model with linear regression coefficients (
R
2
) of 0.9976 and 0.9972 for the adsorption of
As (III)
and
As (V)
respectively. The Langmuir adsorption isotherm model fits well with
As
adsorption by PTh, demonstrating monolayer adsorption on the polymer. According to Langmuir’s adsorption isotherm model calculations, PTh showed maximum adsorption capacities of 84.33 and 87.78 μg/g for
As (III)
and
As (V)
, respectively. Feasible and spontaneous adsorption of
As
by PTh is indicated by the negative Gibbs free energy (Δ
G
°). To validate the
As
adsorption by PTh, DFT simulations were performed and found that the S of the polymer and O of the As species are responsible for the adsorption of
As
by PTh. Additionally, it can be shown that there is a Van-der-Waal type of interaction between hydrogen and oxygen molecules.
Graphical Abstract
Schematic diagram for the synthesis of PTh and adsorptive removal of arsenic from contaminated water.