NDLI: Polymer networks by molecular dynamics simulation: Formation, thermal, structural and mechanical properties

Content Provider	Springer Nature Link
Author	Wu, Rong liang Li, Ting Nies, Erik
Copyright Year	2013
Abstract	A molecular dynamics simulation method is presented and used in the study of the formation of polymer networks. We study the formation of networks representing the methylene repeating units as united atoms. The network formation is accomplished by cross-linking polymer chains with dedicated functional end groups. The simulations reveal that during the cross-linking process, initially branched molecules are formed before the gel point; approaching the gel point, larger branched entities are formed through integration of smaller branched molecules, and at the gel point a network spanning the simulation box is obtained; beyond the gel point the network continues to grow through the addition of the remaining molecules of the sol phase onto the gel (the network); the final completion of the reaction occurs by intra-network connection of dangling ends onto unsaturated cross-linkers. The conformational properties of the strands in the undeformed network are found to be very similar with the conformational properties of the chains before cross-linking. The uniaxial deformation of the formed networks is investigated and the modulus determined from the stress-strain curves shows reciprocal scaling with the precursor chain length for networks formed from sufficiently large precursor chains (N ≥ 20).
Starting Page	21
Ending Page	38
Page Count	18
File Format	PDF
ISSN	02567679
Journal	Chinese Journal of Polymer Science
Volume Number	31
Issue Number	1
e-ISSN	14396203
Language	English
Publisher	Chinese Chemical Society and Institute of Chemistry, CAS
Publisher Date	2012-12-04
Publisher Place	Heidelberg
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Crosslinking Polymer network Network topology Molecular dynamics Mechanical properties Industrial Chemistry/Chemical Engineering Polymer Sciences Condensed Matter Physics Characterization and Evaluation of Materials
Content Type	Text
Resource Type	Article
Subject	Organic Chemistry Chemical Engineering Polymers and Plastics

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

Tough biopolymer IPN hydrogel fibers by bienzymatic crosslinking approach

Property enhancement of polybenzoxazine modified with monoanhydrides and dianhydrides

Preparation and properties of self-crosslinkable polyurethane/silane hybrid emulsion

A study on the structural transition of a single polymer chain by parallel tempering molecular dynamics simulation

Molecular dynamics, thermo-mechanical and optical studies on benzidine chain extended polyurethane-urea

Thermal and mechanical properties of polylactide toughened with a butyl acrylate-ethyl acrylate-glycidyl methacrylate copolymer

Simultaneous improvements of thermal stability and mechanical properties of poly(propylene carbonate) via incorporation of environmental-friendly polydopamine

Reversible crosslinked low density polyethylenes: structure and thermal properties

A steered molecular dynamics simulation on the elastic behavior of adsorbed star polymer chains

Polymer networks by molecular dynamics simulation: Formation, thermal, structural and mechanical properties

Similar Documents

Tough biopolymer IPN hydrogel fibers by bienzymatic crosslinking approach

Property enhancement of polybenzoxazine modified with monoanhydrides and dianhydrides

Preparation and properties of self-crosslinkable polyurethane/silane hybrid emulsion

A study on the structural transition of a single polymer chain by parallel tempering molecular dynamics simulation

Molecular dynamics, thermo-mechanical and optical studies on benzidine chain extended polyurethane-urea

Thermal and mechanical properties of polylactide toughened with a butyl acrylate-ethyl acrylate-glycidyl methacrylate copolymer

Simultaneous improvements of thermal stability and mechanical properties of poly(propylene carbonate) via incorporation of environmental-friendly polydopamine

Reversible crosslinked low density polyethylenes: structure and thermal properties

A steered molecular dynamics simulation on the elastic behavior of adsorbed star polymer chains

Polymer networks by molecular dynamics simulation: Formation, thermal, structural and mechanical properties