Multimodel approach for accurate determination of industry-driven properties for Polymer Nanocomposite Materials
TLDR
This work describes the application of multiscale molecular modeling techniques for the choice of PNC materials for aerospace applications and the results are obtained in the framework of the European project Multi-scale Composite Material Selection Platform.About:
This article is published in Journal of Computational Science.The article was published on 2018-05-01 and is currently open access. It has received 8 citations till now. The article focuses on the topics: Material selection.read more
Citations
More filters
Multiscale modeling for polymer systems of industrial interest
Maurizio Fermeglia,Sabrina Pricl +1 more
TL;DR: In this article, a hierarchical procedure for bridging the gap between atomistic and macroscopic modeling passing through mesoscopic simulations is presented, and examples of applications of multiscale procedures to polymer-organoclay nanocomposites are discussed.
Computer simulation of polypropylene/organoclay nanocomposites: characterization of atomic scale structure and prediction of the binding energy
Emo Chiellini,A. Coslanich,Maurizio Fermeglia,Marco Ferrone,S Meriani,Stanislav Miertus,Sabrina Pricl,Radovan Toth +7 more
TL;DR: In this paper, molecular simulation techniques are used to explore and characterize the atomic scale structure, and to predict binding energies and basal spacing of polymer/clay nanocomposites based on polypropylene (PP) and maleated polypropylon (PPMA), montmorillonite (MMT), and different alkylammonium ions (quats) as surfactants.
Journal ArticleDOI
Multiscale molecular modelling for the design of nanostructured polymer systems: industrial applications
Maurizio Fermeglia,Andrea Mio,Suzana Aulic,Domenico Marson,Erik Laurini,Sabrina Pricl,Sabrina Pricl +6 more
TL;DR: The main goal of this objective is to show how multiscale in silico experiments in molecular systems design and engineering is at the same time theoretically sound and mature enough for its full exploitation.
Journal ArticleDOI
Design of non-structural components for marine engines based on nano-engineered thermoplastic polymers
Journal ArticleDOI
Integrating Multiscale Simulations for Composite Materials with Industrial Business Decisions: the Eu H2020 Composelector Project Experience
TL;DR: In this paper, a multi-disciplinary, multi-model approach for the accurate, reliable, efficient and cost-effective industry-driven KPIs determination for PNC materials is presented.
References
More filters
Journal ArticleDOI
Novel approaches to multiscale modelling in materials science
TL;DR: In this article, a review of the latest developments in multiscale modelling techniques over the past decade, as applied to selected problems in materials science and engineering, is presented, and the reader is encouraged to explore how such techniques might be applied in their own area of specialty.
Journal ArticleDOI
Computer simulation of nylon-6/organoclay nanocomposites: prediction of the binding energy
TL;DR: In this article, the binding energy of polymer/clay nanocomposites based on nylon-6, montmorillonite (MMT) and several, different quaternary ammonium salts was analyzed.
Journal ArticleDOI
Molecular Modeling of Matter: Impact and Prospects in Engineering
Keith E. Gubbins,Joshua D. Moore +1 more
Multiscale modeling for polymer systems of industrial interest
Maurizio Fermeglia,Sabrina Pricl +1 more
TL;DR: In this article, a hierarchical procedure for bridging the gap between atomistic and macroscopic modeling passing through mesoscopic simulations is presented, and examples of applications of multiscale procedures to polymer-organoclay nanocomposites are discussed.
Journal ArticleDOI
Computer simulation of polypropylene/organoclay nanocomposites: characterization of atomic scale structure and prediction of binding energy
Radovan Toth,Radovan Toth,A. Coslanich,Marco Ferrone,Maurizio Fermeglia,Sabrina Pricl,Stanislav Miertus,Emo Chiellini +7 more
TL;DR: In this article, molecular simulation techniques are used to explore and characterize the atomic scale structure, and to predict binding energies and basal spacing of polymer/clay nanocomposites based on polypropylene (PP) and maleated polypropylon (PPMA), montmorillonite (MMT), and different alkylammonium ions (quats) as surfactants.