Dynamic Monte Carlo simulation of graft copolymers made with ATRP and metallocene catalysts

Mamdouh Al-Harthi; João B.P. Soares; Leonardo C. Simon

doi:10.1002/masy.200651109

Dynamic Monte Carlo simulation of graft copolymers made with ATRP and metallocene catalysts

Mamdouh Al-Harthi, João B.P. Soares^*, Leonardo C. Simon

^*Corresponding author for this work

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

10 Scopus citations

Abstract

The synthesis of polyolefin graft copolymers made with coordination polymerization was studied by dynamic Monte Carlo simulation. Narrow molecular weight distribution macromonomers, containing terminal vinyl groups made with atom-transfer radical polymerization (ATRP), were incorporated randomly into the polyolefin backbone. In addition to average molecular weights and polydispersity index, the model predicts the complete molecular weight distribution (MWD) and branching density of the graft copolymer. The effect of the concentration of macromonomers on the grafting efficiency was also studied.

Original language	English
Pages (from-to)	83-90
Number of pages	8
Journal	Macromolecular Symposia
Volume	243
DOIs	https://doi.org/10.1002/masy.200651109
State	Published - 2006
Externally published	Yes

Keywords

Atom-transfer radical polymerization (ATRP)
Coordination polymerization
Graft copolymer
Monte Carlo simulation
Polyolefins

ASJC Scopus subject areas

Condensed Matter Physics
Organic Chemistry
Polymers and Plastics
Materials Chemistry

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10.1002/masy.200651109

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title = "Dynamic Monte Carlo simulation of graft copolymers made with ATRP and metallocene catalysts",

abstract = "The synthesis of polyolefin graft copolymers made with coordination polymerization was studied by dynamic Monte Carlo simulation. Narrow molecular weight distribution macromonomers, containing terminal vinyl groups made with atom-transfer radical polymerization (ATRP), were incorporated randomly into the polyolefin backbone. In addition to average molecular weights and polydispersity index, the model predicts the complete molecular weight distribution (MWD) and branching density of the graft copolymer. The effect of the concentration of macromonomers on the grafting efficiency was also studied.",

keywords = "Atom-transfer radical polymerization (ATRP), Coordination polymerization, Graft copolymer, Monte Carlo simulation, Polyolefins",

author = "Mamdouh Al-Harthi and Soares, \{Jo{\~a}o B.P.\} and Simon, \{Leonardo C.\}",

year = "2006",

doi = "10.1002/masy.200651109",

language = "English",

volume = "243",

pages = "83--90",

journal = "Macromolecular Symposia",

issn = "1022-1360",

publisher = "Wiley-VCH Verlag",

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TY - JOUR

T1 - Dynamic Monte Carlo simulation of graft copolymers made with ATRP and metallocene catalysts

AU - Al-Harthi, Mamdouh

AU - Soares, João B.P.

AU - Simon, Leonardo C.

PY - 2006

Y1 - 2006

N2 - The synthesis of polyolefin graft copolymers made with coordination polymerization was studied by dynamic Monte Carlo simulation. Narrow molecular weight distribution macromonomers, containing terminal vinyl groups made with atom-transfer radical polymerization (ATRP), were incorporated randomly into the polyolefin backbone. In addition to average molecular weights and polydispersity index, the model predicts the complete molecular weight distribution (MWD) and branching density of the graft copolymer. The effect of the concentration of macromonomers on the grafting efficiency was also studied.

AB - The synthesis of polyolefin graft copolymers made with coordination polymerization was studied by dynamic Monte Carlo simulation. Narrow molecular weight distribution macromonomers, containing terminal vinyl groups made with atom-transfer radical polymerization (ATRP), were incorporated randomly into the polyolefin backbone. In addition to average molecular weights and polydispersity index, the model predicts the complete molecular weight distribution (MWD) and branching density of the graft copolymer. The effect of the concentration of macromonomers on the grafting efficiency was also studied.

KW - Atom-transfer radical polymerization (ATRP)

KW - Coordination polymerization

KW - Graft copolymer

KW - Monte Carlo simulation

KW - Polyolefins

UR - https://www.scopus.com/pages/publications/33846507974

U2 - 10.1002/masy.200651109

DO - 10.1002/masy.200651109

M3 - Article

AN - SCOPUS:33846507974

SN - 1022-1360

VL - 243

SP - 83

EP - 90

JO - Macromolecular Symposia

JF - Macromolecular Symposia

ER -

Dynamic Monte Carlo simulation of graft copolymers made with ATRP and metallocene catalysts

Abstract

Keywords

ASJC Scopus subject areas

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