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Polymers
Special Issues
Understanding Polymers from Atomistic Level to Their Production
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Understanding Polymers from Atomistic Level to Their Production

A special issue of Polymers (ISSN 2073-4360). This special issue belongs to the section "Polymer Physics and Theory".

Deadline for manuscript submissions: closed (15 November 2023) | Viewed by 2194

Special Issue Editors

Dr. Milán Szőri

E-Mail Website
Guest Editor
Institute of Chemistry, Faculty of Materials Science and Engineering, University of Miskolc, Miskolc, Hungary
Interests: thermodynamics; computational chemistry; theoretical chemistry; theoretical kinetics; thermochemistry
Dr. Béla Fiser

E-Mail Website
Guest Editor
Institute of Chemistry, University of Miskolc, Miskolc-Egyetemváros, 3515 Miskolc, Hungary
Interests: polymers; computational chemistry; polycyclic aromatic hydrocarbons; reaction mechanisms; catalysis
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Polymers are used in a wide range of products. The physical and chemical properties of polymeric materials can be explored using experimental and computational tools. The development of new synthetic recipes to prepare better materials is usually based on trial-and-error cycles, and thus the process is expensive (time- and material-intensive). The development process can be accelerated using computational tools, which starts with the understanding of the materials at the atomistic level. Therefore, calculations and experiments are complementary to each other.

The aim of this Special Issue of Polymers, entitled “Understanding Polymers from the Atomistic Level to Their Production”, is to cover the most recent results in the field of computational and experimental polymer science. Both research and review papers are welcome. This Special Issue will consider synthesis, theoretical characterization, and the latest developments in raw materials, equipment, manufacturing technologies, and other related topics.

Dr. Milán Szőri
Dr. Béla Fiser
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Polymers is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • polyurethane
  • density functional
  • polyester
  • polymer thin film
  • biodegradation of polymers
  • polymer production
  • polymer structures
  • catalyst

Published Papers (1 paper)

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Research

24 pages, 12452 KiB  
Article
Dependence of Incidence Angle and Flux Density in the Damage Effect of Atomic Oxygen on Kapton Film
by Wang Zhao, Qiang Wei, Chuanjin Huang, Yaoshun Zhu and Ning Hu
Polymers 2022, 14(24), 5444; https://0-doi-org.brum.beds.ac.uk/10.3390/polym14245444 - 12 Dec 2022
Cited by 2 | Viewed by 1381
Abstract
Kapton film is a polymeric material widely used on low-Earth-orbit (LEO) spacecraft surfaces. In the LEO environment, atomic oxygen (AO) is spaceflight materials’ most destructive environmental factor. The erosion mechanism of AO on Kapton films has long been an important issue, where the [...] Read more.
Kapton film is a polymeric material widely used on low-Earth-orbit (LEO) spacecraft surfaces. In the LEO environment, atomic oxygen (AO) is spaceflight materials’ most destructive environmental factor. The erosion mechanism of AO on Kapton films has long been an important issue, where the parameter dependence of the AO effect has received increasing attention. Studies of AO energy and cumulative flux have been extensively carried out, while the influence mechanism of the incidence angle and flux density is not fully understood. The AO incidence angle and flux density in space are diverse, which may cause different damage effects on aerospace materials. In this paper, the dependence of the incidence angle and flux density in the damaging effect of AO on Kapton films was investigated using ground-based AO test technology and the reactive molecular dynamics (ReaxFF MD) simulation technique. Firstly, the ground-based experiment obtained the mass loss data of Kapton films under the action of AO with a variable incidence angle and flux density. Then, the mass loss, temperature rise, product, and erosion yield of Kapton during AO impact with different incidence angles and dose rates were calculated using the ReaxFF MD method. The influences of the incidence angle and flux density on the damage mechanism of the AO effect were discussed by comparing the simulation and test results. The results show that the AO effect in the lower incidence angle range (0–60°) is independent of the incidence angle and depends only on the amount of impacted atomic oxygen. AO in the higher incidence angle range (60–90°) has a surface stripping effect, which causes more significant mass loss and a temperature rise while stripping raised macromolecules from rough surfaces, and the erosion effect increases with the increasing incidence angle and amount of impacted atomic oxygen. There is a critical value for the influence of flux density on the AO effect. Above this critical value, AO has a reduced erosive capacity due to a lower chance of participating in the reaction. The amount of each main product from the AO effect varies with the incidence angle and flux density. Nonetheless, the total content of the main products is essentially constant, around 70%. This work will contribute to our understanding of the incidence angle and flux density dependence of the AO effect and provide valuable information for the development of standards for ground simulation tests. Full article
(This article belongs to the Special Issue Understanding Polymers from Atomistic Level to Their Production)
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