Adsorption Free Energy of Cellulose Nanocrystal on Water–Oil Interface
Round 1
Reviewer 1 Report
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Author Response
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Reviewer 2 Report
This manuscript is dedicated to a study of the adsorption free energy of cellulose nanocrystal on water/oil interface. The authors focus on the aspects and impacts of a molecule orientation and self-diffusion. The work offers a sophisticated and well-planned simulation setup based on molecular dynamics complemented by an adequate and deep analysis to achieve better understanding of the adsorption properties of the investigated system/interface.
Thus, the ambitious task in this work covers an array of hot topics of research of complex processes at interfaces with wide perspectives for groundbreaking applications impacting emerging nanotechnologies that are currently attracting much research interest.
The authors chose an adequate structure of the manuscript – an excellent point of departure for such a study. Finally, the authors provided a balanced and realistic presentation of their MD simulation efforts and corresponding results that is of much scientific and practical interest and adds to new knowledge to the field.
In my opinion, the fine detailing in the present work, the insightful and balanced discussion of the results, as well as the very good figures, permit competent readers to utilize the manuscript as a guidance for future work. Consequently, this manuscript presents an efficient and beneficial basis for promoting and solving next step challenges in this field.
Moreover, the manuscript benefits from a clear motivation and it is an easy and informative read. The manuscript is also excellent in terms of clarity and accuracy of language.
The present manuscript is a significant contribution, this work once published would be quite useful as well as instructive and suggestive in terms of further studies and to a wider readership.
There are some minor issues with this already excellent manuscript that will need to be addressed before becoming suitable for publication, i.e., it can be considered for publication after a minor revision:
1: The authors miss part of bigger picture of adsorption and selfdiffusion/penetration at complex interfaces. Similar structural aspects as in this work were theoretically addressed but using even ab initio MD and perturbation theory methods, e.g., Physical Chemistry Chemical Physics 20 (2018) Pages 17751 – 17761, Dalton Transactions 44 (2015) Pages 3356 - 3366. Such works are supportive to the wider spectrum of simulation methodology applicable to the problematics of present manuscript.
2: Have the authors attempted to study the process at any different temperature than at room temperature? Such simulations may be of practical as well as comparative interest?
3: Was the thermal stability of the cellulose nanocrystal investigated by MD? If yes, it would be really informative to report such results.
4: Spell-check and stylistic revision of the paper are still necessary. Some long sentences, misspellings, etc., still are noticeable throughout the text.
Author Response
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Reviewer 3 Report
In this study, the effects of Adsorption Free Energy of Cellulose Nanocrystal on Water/Oil Interface were investigated by using simulation method. It seems to be an interesting topic. However, the current format cannot be accepted in nanomaterials. Specific comments are as follows:
- The introduction needs to be rewritten. The current content is too short. The authors should describe cellulose’s application characteristics and other related application fields from the basic characteristics of cellulose. Figure 1 also seems inappropriate.
- The experimental part is too general. How did the authors study the water oil interface?
- In Results and Discussion, the authors should deeply analyze the influence of adsorption free energy of cellulose nanocrystal on oil-water interface, and compare it with previous research literature.
Author Response
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Author Response File: Author Response.pdf
Round 2
Reviewer 3 Report
The revised manuscript is much better than the original. In order to further improve the research background, these literature should be added to the introduction before acceptance: Study on the Preparation and Lipophilic Properties of Polyvinyl Alcohol (PVA) Nanofiber Membranes via Green Electrospinning. Nanomaterials, 2021, 11.10: 2514. Fabrication of durable, fluorine-free superhydrophobic cotton fabric for efficient self-cleaning and heavy/light oil-water separation. Colloid and Interface Science Communications, 2021, 44: 100469.
Author Response
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Author Response File: Author Response.pdf
