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Related Concept Videos

Polymers: Molecular Weight Distribution01:10

Polymers: Molecular Weight Distribution

For any given polymer, the weight average molecular weight (Mw) is higher than, if not equal to, the number average molecular weight (Mn). The only situation in which the weight average molecular weight and the number average molecular weight are equal is when a polymer consists only of chains with equal molecular weight. However, this never happens in a synthetic polymer, since it is difficult to control the polymerization process up to a molecular level with accuracy to a hundred percent.
Molecular Weight of Step-Growth Polymers01:08

Molecular Weight of Step-Growth Polymers

Step growth polymerization involves bi or multifunctional monomers. Bifunctional monomers react to form linear step growth polymers, whereas multifunctional monomers react to form non-linear or branched polymers.
As the step-growth polymerization involves step-wise condensation of monomers, the molecular weight also builds up eventually. Consequently, high molecular weight polymers are obtained at the late stages of the polymerization, where 99% of monomers have been consumed.
The extent of the...
Olefin Metathesis Polymerization: Overview01:13

Olefin Metathesis Polymerization: Overview

Recently, the development of olefin metathesis polymerization advanced the field of polymer synthesis. Simply put, the reorganization of substituents on their double bonds between two olefins in the presence of a catalyst is known as the olefin metathesis reaction. The use of metathesis reaction for polymer synthesis is called olefin metathesis polymerization.
Ruthenium-based Grubbs catalyst is the most commonly used catalyst for olefin metathesis polymerization. Grubbs catalyst consists of a...

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Scalable Syntheses of Graphene Oxide and Reduced Graphene Oxide using Cascade Design Oxidation and Highly Basic Reduction Reactions
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On the interactions between poly(ethylene oxide) and graphite oxide: a comparative study by different computational

I Garcia-Yoldi1, F Álvarez, J Colmenero

  • 1Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, E20018, Donostia-San Sebastián, Spain. inigo_garcia@ehu.es

The Journal of Chemical Physics
|March 15, 2013
PubMed
Summary

This study explores interactions between poly(ethylene oxide) (PEO) and graphite oxide (GO) in nanocomposites. The most stable interaction involves a hydrogen bond between GO hydroxyl groups and PEO oxygen atoms.

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Area of Science:

  • Materials Science
  • Computational Chemistry
  • Polymer Science

Background:

  • Polymer nanocomposites offer enhanced properties.
  • Understanding polymer-substrate interactions is crucial for material design.
  • Graphite oxide (GO) is a promising substrate for nanocomposites.

Purpose of the Study:

  • To investigate the interactions between poly(ethylene oxide) (PEO) and graphite oxide (GO).
  • To model and analyze the intermolecular forces governing PEO-GO confinement.
  • To compare theoretical calculation methods for predicting these interactions.

Main Methods:

  • Utilized simplified models for PEO and GO to represent potential interactions.
  • Calculated interaction energy curves using Møller-Plesset perturbation theory (MP2)/6-31+G(d).
  • Analyzed interaction properties including distances, stability, and bond critical points.

Main Results:

  • Identified dispersion-assisted π-interactions between PEO and GO.
  • Determined the most stable interaction as a hydrogen bond between GO hydroxyl hydrogen and PEO oxygen.
  • Compared MP2 results with various density functional theory (DFT) methods.

Conclusions:

  • Hydrogen bonding is the dominant interaction stabilizing PEO on GO.
  • Computational methods like MP2 and DFT are effective for studying polymer-substrate interactions.
  • Findings provide insights for designing advanced PEO-GO nanocomposite materials.