Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Olefin Metathesis Polymerization: Ring-Opening Metathesis Polymerization (ROMP)01:16

Olefin Metathesis Polymerization: Ring-Opening Metathesis Polymerization (ROMP)

3.1K
Ring-opening metathesis polymerization or ROMP involves strained cycloalkenes as starting materials. The mechanism of ROMP proceeds by reacting cycloalkene with Grubbs catalyst to give metallacyclobutane intermediate which undergoes a ring-opening reaction to form new carbene. The new carbene reacts with another molecule of cycloalkene. Repetition of these steps leads to the formation of an unsaturated open-chain polymer product. All these steps are reversible, however, relieving the ring...
3.1K
Polymer Classification: Crystallinity01:21

Polymer Classification: Crystallinity

3.7K
Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
3.7K
Ziegler–Natta Chain-Growth Polymerization: Overview01:17

Ziegler–Natta Chain-Growth Polymerization: Overview

3.9K
Ziegler–Natta polymerization is another form of addition or chain‐growth polymerization used for synthesizing linear polymers over branched polymers. The catalyst used for polymerization is the Ziegler–Natta catalyst, named after Karl Ziegler and Giulio Natta, who developed it in 1953. This catalyst is an organometallic complex of titanium tetrachloride and triethyl aluminum, with the active form of the catalyst being an alkyl titanium compound. Using the Ziegler–Natta...
3.9K
Types of Step-Growth Polymers: Polyesters01:20

Types of Step-Growth Polymers: Polyesters

2.5K
The introduction of polyesters has brought major development to the textile industry. The wrinkle-free behavior of polyester blends has eliminated the need for starching and ironing clothes.
Polyesters are commonly prepared from terephthalic acid and ethylene glycol; the crude product is known as poly(ethylene terephthalate) or PET. However, polyesters are synthesized industrially by transesterification of dimethyl terephthalate with ethylene glycol at 150 °C. The two reactants and the polymer...
2.5K
Anionic Chain-Growth Polymerization: Mechanism01:04

Anionic Chain-Growth Polymerization: Mechanism

2.4K
The mechanism for anionic chain-growth polymerization involves initiation, propagation, and termination steps. In the initiation step, a nucleophilic anion, such as butyl lithium, initiates the polymerization process by attacking the π bond of the vinylic monomer. As a result, a carbanion, stabilized by the electron‐withdrawing group, is generated. The resulting carbanion acts as a Michael donor in the propagation step and attacks the second vinylic monomer, which acts as a Michael...
2.4K
Anionic Chain-Growth Polymerization: Overview01:20

Anionic Chain-Growth Polymerization: Overview

2.5K
The polymerization process that involves carbanion as an intermediate is called anionic polymerization. It is also a type of addition or chain-growth polymerization. Anionic polymerization gets initiated by a strong nucleophile such as an organolithium or a Grignard reagent. The most commonly used initiator for anionic polymerization is butyl lithium. Monomers involved in anionic polymerization must possess a vinyl group bonded to one or two electron-withdrawing groups. For instance,...
2.5K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Threading dislocation reduction in heteroepitaxial GaSb based superlattices grown on silicon.

Scientific reports·2026
Same author

Ion-modulated polyelectrolyte complexation of DNA and polyacrylic acid from molecular dynamics simulations.

The Journal of chemical physics·2026
Same author

Polymer-Grafted WS<sub>2</sub> Nanocomposites: from Edge-Site Passivation to Melt-Stable Fused Granular Fabrication.

ACS nano·2026
Same author

Investigating the Role of Miscibility in Hydrogenated Dicyclopentadiene Resin/Polymer Blends: A Molecular Dynamics Study.

Polymers·2026
Same author

Physics-aware deep learning models for predicting the heterogeneous mechanical properties of polymeric nanostructured materials.

The Journal of chemical physics·2026
Same author

Revealing the Role of Microstructure and Strain Heterogeneities in the Elastic-Plastic Transition of Glassy Polymers.

Macromolecules·2026

Related Experiment Video

Updated: Jan 14, 2026

Synthesis of Monodisperse Cylindrical Nanoparticles via Crystallization-driven Self-assembly of Biodegradable Block Copolymers
11:42

Synthesis of Monodisperse Cylindrical Nanoparticles via Crystallization-driven Self-assembly of Biodegradable Block Copolymers

Published on: June 20, 2019

8.3K

Development of a systematic coarse-grained model for poly(ε-caprolactone) in melt.

Petra Bačová1, Gonzalo González Huarte1, Vagelis Harmandaris2,3,4

  • 1Departamento de Ciencia de los Materiales e Ingeniería Metalúrgica y Química Inorgánica, Facultad de Ciencias, IMEYMAT, Universidad de Cadiz - Campus de Puerto Real, Puerto Real, 11510, Spain.

Open Research Europe
|October 17, 2025
PubMed
Summary

This study presents a coarse-graining method for modeling biodegradable poly(ε-caprolactone) (PCL) polymers. The adaptable approach accurately reproduces structural and dynamic properties, aiding sustainable materials development.

Keywords:
atomistic modelmolecular dynamics simulationspoly(caprolactone)polymer physicssystematic coarse-graining

More Related Videos

Melt Electrospinning Writing of Three-dimensional Poly(&#949;-caprolactone) Scaffolds with Controllable Morphologies for Tissue Engineering Applications
12:28

Melt Electrospinning Writing of Three-dimensional Poly(ε-caprolactone) Scaffolds with Controllable Morphologies for Tissue Engineering Applications

Published on: December 23, 2017

15.7K
Assembly and Characterization of Polyelectrolyte Complex Micelles
08:44

Assembly and Characterization of Polyelectrolyte Complex Micelles

Published on: March 2, 2020

11.5K

Related Experiment Videos

Last Updated: Jan 14, 2026

Synthesis of Monodisperse Cylindrical Nanoparticles via Crystallization-driven Self-assembly of Biodegradable Block Copolymers
11:42

Synthesis of Monodisperse Cylindrical Nanoparticles via Crystallization-driven Self-assembly of Biodegradable Block Copolymers

Published on: June 20, 2019

8.3K
Melt Electrospinning Writing of Three-dimensional Poly(&#949;-caprolactone) Scaffolds with Controllable Morphologies for Tissue Engineering Applications
12:28

Melt Electrospinning Writing of Three-dimensional Poly(ε-caprolactone) Scaffolds with Controllable Morphologies for Tissue Engineering Applications

Published on: December 23, 2017

15.7K
Assembly and Characterization of Polyelectrolyte Complex Micelles
08:44

Assembly and Characterization of Polyelectrolyte Complex Micelles

Published on: March 2, 2020

11.5K

Area of Science:

  • Polymer Science
  • Computational Materials Science
  • Sustainable Materials

Background:

  • Addresses the increasing demand for sustainable materials in various industries.
  • Focuses on modeling biodegradable polymers like poly(ε-caprolactone) (PCL).
  • Highlights the need for adaptable computational models for diverse polymer applications.

Purpose of the Study:

  • To introduce a systematic coarse-graining approach for modeling PCL in its melt state.
  • To develop a simple and adaptable method for creating computational models of biodegradable polymers.
  • To enable the study of PCL with a wide range of molecular weights and compositions relevant to industry.

Main Methods:

  • Employed atomistic simulations using the L-OPLS force field, adapted from OPLS-AA.
  • Validated atomistic simulation data against existing literature and theoretical predictions.
  • Developed a coarse-grained model based on validated atomistic configurations.

Main Results:

  • Accurately reproduced key structural and dynamic properties of PCL at both atomistic and coarse-grained levels.
  • Demonstrated the successful transferability of properties across different simulation resolutions.
  • Validated the coarse-grained model's efficacy in capturing essential material characteristics.

Conclusions:

  • The presented methodology facilitates computational studies for optimizing PCL-based material properties.
  • Potential to reduce the environmental and economic impact of developing new sustainable materials.
  • Offers a pathway for more efficient design and application of biodegradable polymers.