Molecular modeling of metallocene catalyzed copolymerization of ethylene with functional comonomers
1
VTT Chemical Technology, Biologinkuja 7, Espoo, P.O. Box 1401, FIN-02044 VTT, Finland
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Publication type: Journal Article
Publication date: 1999-08-01
scimago Q1
wos Q1
SJR: 1.076
CiteScore: 10.2
Impact factor: 6.3
ISSN: 00143057, 18731945
Materials Chemistry
Organic Chemistry
General Physics and Astronomy
Polymers and Plastics
Abstract
Metallocene catalyzed copolymerization of ethylene with comonomers having polar functional groups (alcohols, carboxylic acids and esters) has been studied experimentally and by molecular modeling. The polar functional groups strongly reduce the activity of the catalyst. The deactivation of the catalyst is investigated with DFT calculations on some model systems. The effect of the spacer length between the double bond and the functional group is analyzed using molecular dynamics and molecular mechanics methods, and compared with experiments.
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Metrics
22
Total citations:
22
Citations from 2024:
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(9.1%)
The most citing journal
Citations in journal:
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GOST
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Ahjopalo L. et al. Molecular modeling of metallocene catalyzed copolymerization of ethylene with functional comonomers // European Polymer Journal. 1999. Vol. 35. No. 8. pp. 1519-1528.
GOST all authors (up to 50)
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Ahjopalo L., Löfgren B., Hakala K., Pietilä L. Molecular modeling of metallocene catalyzed copolymerization of ethylene with functional comonomers // European Polymer Journal. 1999. Vol. 35. No. 8. pp. 1519-1528.
Cite this
RIS
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TY - JOUR
DO - 10.1016/s0014-3057(98)00233-x
UR - https://doi.org/10.1016/s0014-3057(98)00233-x
TI - Molecular modeling of metallocene catalyzed copolymerization of ethylene with functional comonomers
T2 - European Polymer Journal
AU - Ahjopalo, Lisbeth
AU - Löfgren, Barbro
AU - Hakala, Kimmo
AU - Pietilä, Lars-Olof
PY - 1999
DA - 1999/08/01
PB - Elsevier
SP - 1519-1528
IS - 8
VL - 35
SN - 0014-3057
SN - 1873-1945
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{1999_Ahjopalo,
author = {Lisbeth Ahjopalo and Barbro Löfgren and Kimmo Hakala and Lars-Olof Pietilä},
title = {Molecular modeling of metallocene catalyzed copolymerization of ethylene with functional comonomers},
journal = {European Polymer Journal},
year = {1999},
volume = {35},
publisher = {Elsevier},
month = {aug},
url = {https://doi.org/10.1016/s0014-3057(98)00233-x},
number = {8},
pages = {1519--1528},
doi = {10.1016/s0014-3057(98)00233-x}
}
Cite this
MLA
Copy
Ahjopalo, Lisbeth, et al. “Molecular modeling of metallocene catalyzed copolymerization of ethylene with functional comonomers.” European Polymer Journal, vol. 35, no. 8, Aug. 1999, pp. 1519-1528. https://doi.org/10.1016/s0014-3057(98)00233-x.