Article | REF: AF6042 V2

Molecular Modeling and Simulation of Polymers

Author: Armand SOLDERA

Publication date: April 10, 2018, Review date: July 30, 2021

You do not have access to this resource.
Click here to request your free trial access!

Already subscribed? Log in!


Français

1. Principles of molecular simulation

Although often used interchangeably, the concepts of molecular modeling and molecular simulation need to be differentiated. To do so, we'll consider the definitions given by Le Petit Robert for the words modeling and simulation. Modeling is "putting a complex phenomenon into equations in order to predict its equations. Especially: the establishment of a mathematical model that can be understood by a computer to describe and reproduce a natural object". As for the term simulation, we'll take the definition dating from the mid-twentieth century: "representation of the behavior of physical systems (by digital computers, etc.) by simulating real quantities with appropriate signals". We therefore need to build the models that will best represent, i.e. simulate, the systems which, in the case of this article, are mainly the amorphous phase of linear polymers. A sub-section will focus on melting...

You do not have access to this resource.

Exclusive to subscribers. 97% yet to be discovered!

You do not have access to this resource.
Click here to request your free trial access!

Already subscribed? Log in!


The Ultimate Scientific and Technical Reference

A Comprehensive Knowledge Base, with over 1,200 authors and 100 scientific advisors
+ More than 10,000 articles and 1,000 how-to sheets, over 800 new or updated articles every year
From design to prototyping, right through to industrialization, the reference for securing the development of your industrial projects

This article is included in

Physics and chemistry

This offer includes:

Knowledge Base

Updated and enriched with articles validated by our scientific committees

Services

A set of exclusive tools to complement the resources

Practical Path

Operational and didactic, to guarantee the acquisition of transversal skills

Doc & Quiz

Interactive articles with quizzes, for constructive reading

Subscribe now!

Ongoing reading
Principles of molecular simulation