Preprint Review Version 1 Preserved in Portico This version is not peer-reviewed

A Review on Multiscale Modelling and Simulation for Polymer Nanocomposites

Version 1 : Received: 14 February 2022 / Approved: 17 February 2022 / Online: 17 February 2022 (11:51:28 CET)

How to cite: Sharma, A.; Devi, M. A Review on Multiscale Modelling and Simulation for Polymer Nanocomposites. Preprints 2022, 2022020213. https://doi.org/10.20944/preprints202202.0213.v1 Sharma, A.; Devi, M. A Review on Multiscale Modelling and Simulation for Polymer Nanocomposites. Preprints 2022, 2022020213. https://doi.org/10.20944/preprints202202.0213.v1

Abstract

This paper is focused on understanding multiscale modelling to obtain a bridge among different time and length scales of simulation techniques. These techniques are vital as it holds the potential to understand and predict the capabilities of polymer nanocomposites (PNCs). However, an appropriate approach in controlling the interfacial interaction between nanoparticle and polymer in nanocomposites structure is still needed to develop. In this review, an initial brief introduction to various trending simulation techniques has been discussed at all three levels of scale (nm, μm, mm). Later, descriptive study on fundamental issues such as thermodynamics, kinetics, mechanical properties, and morphology has been studied deeply. The multiscale modeling bridges the gaps of simulation between the different scales of models from molecular to mesoscale levels working over the broad range of length and timescale. Through the sequential, adaptive, and concurrent approaches, we can develop a system that may comprehend multiscale mode modeling adaptive resolution approach has recently added approach the molecule of the subject can shift their position freely in the domain and through this approach and studied the Brownian motion. Co-The co-current coach is also termed as handshaking path and it is linked aiming at different scale models. Covering the rigid techniques smoothly and linking them at different scales helps in normalizing the statistical behaviour.

Keywords

Polymer nanocomposite; Multiscale modelling; Nanostructure; Nanoparticle; Interface; Simulation

Subject

Chemistry and Materials Science, Polymers and Plastics

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