scholarly journals Theoretical Investigation of the Adsorption of Cadmium Iodide from Water Using Polyaniline Polymer Filled with TiO2 and ZnO Nanoparticles

Water ◽  
2021 ◽  
Vol 13 (18) ◽  
pp. 2591
Author(s):  
Noureddine Mahdhi ◽  
Norah Salem Alsaiari ◽  
Fatimah Mohammed Alzahrani ◽  
Khadijah Mohammedsaleh Katubi ◽  
Abdelfattah Amari ◽  
...  

The removal of heavy metals from drinking water has attracted great interest in water purification technology. In this study, a biocompatible Polyaniline (PANI) polymer filled with TiO2 and ZnO nanoparticles (NPs) is considered as an adsorbent of cadmium iodide from water. Theoretical investigation of the van der Waals (vdW) interactions deduced from the Hamaker constant calculated on the basis of Lifshitz theory was presented. It was found that the surface energy as well as the work of adhesion between water and PANI/NPs across air increases with an increasing volume fraction of the TiO2 and ZnO nanoparticles. Consequently, an increase in the Laplace pressure around the cavities/porosities was found, which leads to the enhancement of the specific contact surface between water and PANI/NPs. On the other hand, for the interactions between CdI2 particles and PANI/NPs surface across water, we show that the interactions are governed principally by the attractive London dispersion forces. The vdW energy and force increase proportionally with the augmentation of the volume fraction of nanoparticles and of the radius of the CdI2 particle. Particularly, the PANI/TiO2 has been proved to be a better candidate for adsorption of cadmium iodide from water than PANI/ZnO.

1968 ◽  
Vol 23 (7) ◽  
pp. 979-984 ◽  
Author(s):  
Manlio Sanesi ◽  
Vittoriano Wagner

The heats of adsorption on weakly activated γ-aluminium oxide for a number of linear alkanes (from n-butane to n-nonane) and for 2.2.4-trimethylpentane have been determined by GSC and extrapolated to zero surface coverage.The dependance of the adsorption energy on the number of carbon atoms is discussed on the basis of the bidimensional gas model: it is shown that the interactions of the adsorbates with the oxidic surface are mainly due to London dispersion forces.


1952 ◽  
Vol 20 (11) ◽  
pp. 1812-1812 ◽  
Author(s):  
James F. Hornig ◽  
Joseph O. Hirschfelder

2017 ◽  
Vol 46 (39) ◽  
pp. 13492-13501 ◽  
Author(s):  
A. M. Preda ◽  
W. B. Schneider ◽  
D. Schaarschmidt ◽  
H. Lang ◽  
L. Mertens ◽  
...  

Bi(2-C4H3S)3 shows an enantiotropic phase transition that is dominated by London dispersion forces. DFT calculations on model compounds were carried out in order to investigate the competition between Bi⋯S and Bi⋯π heteroarene interaction.


2018 ◽  
Vol 37 (13) ◽  
pp. 2075-2085 ◽  
Author(s):  
Madison L. McCrea-Hendrick ◽  
Markus Bursch ◽  
Kelly L. Gullett ◽  
Leonard R. Maurer ◽  
James C. Fettinger ◽  
...  

2020 ◽  
Vol 224 ◽  
pp. 145-165
Author(s):  
Derk Pieter Kooi ◽  
Paola Gori-Giorgi

We analyse a path to construct density functionals for the dispersion interaction energy from an expression in terms of the ground state densities and exchange–correlation holes of the isolated fragments.


2015 ◽  
Vol 54 (45) ◽  
pp. 13436-13439 ◽  
Author(s):  
Luca Schweighauser ◽  
Marcel A. Strauss ◽  
Silvia Bellotto ◽  
Hermann A. Wegner

2011 ◽  
Vol 84 (24) ◽  
Author(s):  
Guo Li ◽  
Valentino R. Cooper ◽  
Jun-Hyung Cho ◽  
Shixuan Du ◽  
Hong-Jun Gao ◽  
...  

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