Next Article in Journal
Experimental Investigation of the Rheological Behavior of an Oil-Based Drilling Fluid with Rheology Modifier and Oil Wetter Additives
Next Article in Special Issue
Chelate Coordination Compounds as a New Class of High-Energy Materials: The Case of Nitro-Bis(Acetylacetonato) Complexes
Previous Article in Journal
The Role of Allium subhirsutum L. in the Attenuation of Dermal Wounds by Modulating Oxidative Stress and Inflammation in Wistar Albino Rats
 
 
Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
Journals
Molecules
Volume 26
Issue 16
10.3390/molecules26164876
Review Report
molecules-logo
Submit to this Journal Review for this Journal Propose a Special Issue
► Article Menu

Article Menu

share Share announcement Help format_quote Cite question_answer Discuss in SciProfiles
Article
Peer-Review Record

Molecular Dynamics Simulations for Effects of Fluoropolymer Binder Content in CL-20/TNT Based Polymer-Bonded Explosives

Molecules 2021, 26(16), 4876; https://doi.org/10.3390/molecules26164876
by Shenshen Li and Jijun Xiao *
Reviewer 1: Anonymous
Reviewer 2: Anonymous
Molecules 2021, 26(16), 4876; https://doi.org/10.3390/molecules26164876
Submission received: 8 July 2021 / Revised: 5 August 2021 / Accepted: 9 August 2021 / Published: 12 August 2021
(This article belongs to the Special Issue Promising High-Energy-Density Materials)

Round 1

Reviewer 1 Report

This manuscript reports molecular dynamics (MD) simulations to investigate the interfacial interactions, sensitivity, and mechanical properties of CL-20/TNT with fluorine rubber F_2311.  The manuscript is well written and deserves publication in the Molecules after minor corrections. 

- Figure 1. (d). Increase the figure's size to visualize better the primitive cell of the CL-20/TNT co-crystal.

- If possible, improve the quality of Figure 2 (a)-(d). Although Figure 4 shows the H-bonds between O atoms of co-crystal and H-atoms of F_2311 and the interaction of H-atoms in the co-cristal and F-atoms of  F_2311, Figure 2 (a)-(d) not shown clearly these weak bonds at different F2311 concentrations.

- Tables 1-3. Change the word "brackets" to "parenthesis".

Author Response

Please see the attachment

Author Response File: Author Response.pdf

Reviewer 2 Report

This paper discusses the molecular dynamics modeling of CL-20/TNT systems with varying levels of fluoropolymer content. The trigger bond lengths and mechanical properties are predicted. The results indicate that the fluoropolymer content has a significant effect on these properties. There are serious issues with this paper:

  1. In general, the manuscript is difficult to read due to poor English grammar and word choice
  2. The authors provide no explanation of why they are modeling a layered structure, or how they choose the relative content of the fluoropolymer in the MD simulation box.
  3. The length of the equilibration runs is not provided
  4. The authors make an absurd statement: “Higher shear modulus means higher hardness and yield strength”. Not only is this not true, but it indicates a serious lack of understanding of solid mechanics on the part of the authors
  5. Another absurd statement: “Higher bulk modulus means higher fracture strength”. Again, this statement is completely untrue and indicates a fundamental lack of understanding of solid mechanics

Author Response

Please see the attachment

Author Response File: Author Response.pdf

Round 2

Reviewer 2 Report

The authors have satisfactorily addressed my comments

Back to TopTop