Molecular Simulations for Structure-Property Relationships in Novel Polymeric Materials
A special issue of Polymers (ISSN 2073-4360). This special issue belongs to the section "Polymer Physics and Theory".
Deadline for manuscript submissions: closed (30 September 2021) | Viewed by 6180
Special Issue Editor
Interests: molecular modeling of structure/property relationships of various materials/systems; including polymer/carbon fibre interfaces in composites; graphene nanoplatelet-reinforced polymer composites; ionic liquid systems with/without solid surfaces; hydrogel materials for wearable electronic devices; energy storage devices such as supercapacitors using molecular dynamics simulations
Special Issue Information
Dear colleagues,
In the last two decades, the development of renewable and non-toxic compounds for industrial production has become of paramount importance due to the depletion of fossil resources and hence the rising price, and environmental problems like climate change. This has raised the interest in reducing using petroleum-based monomers and substituing them with novel, eco-efficient and biodegradable substitutes. In other words, new novel monomers need to be designed and tested to replace bisphenol derivatives that are toxic and environmentally unfriendly.
Using novel polymers has imparted multifunctionality to composite materials. Novel polymer composites combine properties such as ionic conductivity, thermal conductivity and hydrophilicity in addition to promising thermo-mechanical properties. For example, interpenetrating polymer networks (IPNs) that are defined as a combination of at least two polymers that form a network can be promising host matrix for polymer composites because each network component will impart different properties or contribute to multiple properties of the resultant composite.
The aim of this Special Issue is to highlight the importance of using molecular simulation techniques in modelling, testing and tuning novel and/or bio-based polymeric materials and their composites for various applications in the aerospace, automotive and energy industries.
Dr. Baris Demir
Guest Editor
Manuscript Submission Information
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Keywords
- Thermoplastic polymers
- Thermoset polymers
- Bio-based polymers
- Poly(ionic liquids)
- Polymer composites
- Polymer-based structural electrolytes
- Fibre reinforced polymer composites
- Structure-property relationship
- Thermal properties
- Mechanical properties
- Molecular simulations
- Monte carlo simulations
- Molecular dynamics simulation
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