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

Round 1

Reviewer 1 Report

The manuscript is written clearly and focused on the adsorbents. The following comments can be considered:

• How is the interaction of Cadmium iodide with environmental components found in the water that makes water non-drinkable ? what are the major sources of the contamination?
• Write the values of permissible limits of cad metal concentration in water based on the literature and WHO guidelines https://doi.org/10.1016/j.jece.2021.105688.
• How it is expected to remove Cad iodide by given composition?
• Please write the advantages of their composite in terms of the counterpart of components (individual component).

 

Author Response

Dear  reviewer,

Please see the attachment

sincerely.

Author Response File: Author Response.docx

Reviewer 2 Report

The paper written by Noureddine Mahdhi et. al. reports a systematic theoretical Investigation of the adsorption of CdI₂ from water using polyaniline polymer (PANI) filled with TiO₂ and ZnO nanoparticles. In general, this paper has presented an important and valuable finding: the PANI/TiO₂ has proved to be a better candidate for adsorption of 30 cadmium iodide from water than PANI/ZnO. Furthermore, the interactions are governed principally by the attractive London dispersion forces. Both vdW energy and force increase proportionally with the augmentation of the volume fraction of nanoparticles and of the radius of the CdI₂ particle. Overall, I rate this manuscript as scientifically sound, and interesting for the audience of water. Some minor revisions would add to the value of the manuscript for definitely supporting its acceptation.

 

• Whether the author can provide some previous publications from other groups using the same model (computational method) and cite them in the paper? If so, It will convince more audiences.   

 

• I did not see the author consider the effect of temperature in your model. Do you think it will affect your findings greatly?

 

• As for the method 2.1.1 VdW interactions between two flat surface (water and PANI/NPs) across air, why we should consider air as the medium? It seems not very closely related to this paper (CdI₂ from water adsorption using polyaniline polymer (PANI) filled with TiO₂ and ZnO nanoparticles) .

 

• There are so many typos in this paper, for example:

1. a) in the conclusion section, all the subscripts are ignored. TiO2/CdI2…
2. b) Table 4, the volume fraction Φ/ φ
3. c) Even, there is typo in the first author’s name. There should be an empty space.

I can not list all typos. The author should recheck the paper entirely.  

 

 

Author Response

Dear Reviewer,

Please see the attachment.

Sincerely.

Author Response File: Author Response.docx

Round 2

Reviewer 1 Report

The authors addressed the comments raised satisfactorily. So I suggest accepting now.