Primary radiation defect production in polyethylene and cellulose

Jussi Polvi; Petri Luukkonen; Kai Nordlund; Tommi T. Järvi; Travis W. Kemper; Susan B. Sinnott

doi:10.1021/jp309979p

Primary radiation defect production in polyethylene and cellulose

Jussi Polvi, Petri Luukkonen, Kai Nordlund, Tommi T. Järvi, Travis W. Kemper, Susan B. Sinnott

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

Irradiation effects in polyethylene and cellulose were examined using molecular dynamics simulations. The governing reactions in both materials were chain scissioning and generation of small hydrocarbon and peroxy radicals. Recombination of chain fragments and cross-linking between polymer chains were found to occur less frequently. Crystalline cellulose was found to be more resistant to radiation damage than crystalline polyethylene. Statistics on radical formation are presented and the dynamics of the formation of radiation damage discussed.

Original language	English (US)
Pages (from-to)	13932-13938
Number of pages	7
Journal	Journal of Physical Chemistry B
Volume	116
Issue number	47
DOIs	https://doi.org/10.1021/jp309979p
State	Published - Nov 29 2012

All Science Journal Classification (ASJC) codes

Physical and Theoretical Chemistry
Surfaces, Coatings and Films
Materials Chemistry

Access to Document

10.1021/jp309979p

Cite this

@article{32561f8dee874f5785ed3257245ef2c5,

title = "Primary radiation defect production in polyethylene and cellulose",

abstract = "Irradiation effects in polyethylene and cellulose were examined using molecular dynamics simulations. The governing reactions in both materials were chain scissioning and generation of small hydrocarbon and peroxy radicals. Recombination of chain fragments and cross-linking between polymer chains were found to occur less frequently. Crystalline cellulose was found to be more resistant to radiation damage than crystalline polyethylene. Statistics on radical formation are presented and the dynamics of the formation of radiation damage discussed.",

author = "Jussi Polvi and Petri Luukkonen and Kai Nordlund and J{\"a}rvi, {Tommi T.} and Kemper, {Travis W.} and Sinnott, {Susan B.}",

year = "2012",

month = nov,

day = "29",

doi = "10.1021/jp309979p",

language = "English (US)",

volume = "116",

pages = "13932--13938",

journal = "Journal of Physical Chemistry B",

issn = "1520-6106",

number = "47",

}

TY - JOUR

T1 - Primary radiation defect production in polyethylene and cellulose

AU - Polvi, Jussi

AU - Luukkonen, Petri

AU - Nordlund, Kai

AU - Järvi, Tommi T.

AU - Kemper, Travis W.

AU - Sinnott, Susan B.

PY - 2012/11/29

Y1 - 2012/11/29

N2 - Irradiation effects in polyethylene and cellulose were examined using molecular dynamics simulations. The governing reactions in both materials were chain scissioning and generation of small hydrocarbon and peroxy radicals. Recombination of chain fragments and cross-linking between polymer chains were found to occur less frequently. Crystalline cellulose was found to be more resistant to radiation damage than crystalline polyethylene. Statistics on radical formation are presented and the dynamics of the formation of radiation damage discussed.

AB - Irradiation effects in polyethylene and cellulose were examined using molecular dynamics simulations. The governing reactions in both materials were chain scissioning and generation of small hydrocarbon and peroxy radicals. Recombination of chain fragments and cross-linking between polymer chains were found to occur less frequently. Crystalline cellulose was found to be more resistant to radiation damage than crystalline polyethylene. Statistics on radical formation are presented and the dynamics of the formation of radiation damage discussed.

UR - http://www.scopus.com/inward/record.url?scp=84870362217&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84870362217&partnerID=8YFLogxK

U2 - 10.1021/jp309979p

DO - 10.1021/jp309979p

M3 - Article

C2 - 23131061

AN - SCOPUS:84870362217

SN - 1520-6106

VL - 116

SP - 13932

EP - 13938

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

IS - 47

ER -

Primary radiation defect production in polyethylene and cellulose

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this