Special Issue "Molecular Simulation of Polymers"
Deadline for manuscript submissions: 5 December 2023 | Viewed by 6999
Simulation has been treated as a significant method to improve research efficiency, decrease experiment cost, and promote the development of novel products. It is well known that there are many influencing factors in the fabrication of polymers, which indicates that the direct experimental study to investigate and optimize the process parameters inevitably requires a great quantity of time and economic costs. Meanwhile, for the various applications of polymers, many kinds of properties are demanded to test and analyze, such as mechanical property, thermal property, electrical property, magnetic property, and chemical property, which mean a complex and costly detection process. The booming technology of simulation can make up for these existing problems by combining with theoretical modelling and experimental validation. Thus, simulation is not only feasible, but also necessary.
Many kinds of simulation methods have been developed at present, such as molecular simulation, finite element simulation, and virtual reality technology, which provide a variety of tools to develop and detect novel polymers. Molecular simulation is a method to simulate molecular structures and behaviors using computers to simulate at the atomic level, and then to simulate the various physical and chemical properties of the molecular system for polymers. Meanwhile, the finite element simulation method is treated as another promising technique to study the property of polymers or interfacial performance among polymers and other materials. This Special Issue is dedicated to recent research advances in the fabrication, characterization, and optimization of polymers via the assistance of computational simulation, more specifically, in (1) molecular simulation, (2) finite element simulation, and (3) multi-physical computational simulation in the polymer and relevant fields.
It is our pleasure to invite you to submit a manuscript to this Special Issue, including full papers, reviews, and short communications.
Dr. Xinmin Shen
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.
- molecular simulation
- first principle calculation
- finite element simulation
- mechanical property
- physical performance
- preparation parameters
- performance characterization