QUANTITATIVE EVALUATION OF ARRANGEMENT OF MONOMERS IN LINEAR BINARY COPOLYMERS USING A MONTE CARLO SIMULATION METHOD
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QUANTITATIVE EVALUATION OF ARRANGEMENT OF MONOMERS IN LINEAR BINARY COPOLYMERS USING A MONTE CARLO SIMULATION METHOD
QUANTITATIVE EVALUATION OF ARRANGEMENT OF MONOMERS IN LINEAR BINARY COPOLYMERS USING A MONTE CARLO SIMULATION METHOD
高分子科学(英文版)2009年27卷第2期 页码:195-208
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纸质出版:2009-03-20
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Mohammad Najafi a, Mehdi Salami-Kalajahi a, Vahid Haddadi-Asl a. QUANTITATIVE EVALUATION OF ARRANGEMENT OF MONOMERS IN LINEAR BINARY COPOLYMERS USING A MONTE CARLO SIMULATION METHOD[J]. 高分子科学(英文版), 2009,27(2):195-208.
Mohammad Najafi a, b, Mehdi Salami-Kalajahi a. QUANTITATIVE EVALUATION OF ARRANGEMENT OF MONOMERS IN LINEAR BINARY COPOLYMERS USING A MONTE CARLO SIMULATION METHOD[J]. 2009, 27(2): 195-208.
Mohammad Najafi a, Mehdi Salami-Kalajahi a, Vahid Haddadi-Asl a. QUANTITATIVE EVALUATION OF ARRANGEMENT OF MONOMERS IN LINEAR BINARY COPOLYMERS USING A MONTE CARLO SIMULATION METHOD[J]. 高分子科学(英文版), 2009,27(2):195-208.DOI:
Mohammad Najafi a, b, Mehdi Salami-Kalajahi a. QUANTITATIVE EVALUATION OF ARRANGEMENT OF MONOMERS IN LINEAR BINARY COPOLYMERS USING A MONTE CARLO SIMULATION METHOD[J]. 2009, 27(2): 195-208.DOI:
QUANTITATIVE EVALUATION OF ARRANGEMENT OF MONOMERS IN LINEAR BINARY COPOLYMERS USING A MONTE CARLO SIMULATION METHOD
A Monte Carlo method was used to take thorough account of the influences of different reactivity ratios and initial feed compositions on copolymer microstructure. The model proves the lack of azeotropic behavior in systems in which rA 1 and rB 1 or vice versa; it is also able to calculate the drift in the copolymer properties: copolymer composition
and randomness parameter. Moreover
for each reactivity ratio pair given
there is a unique reaction conversion
at which macromolecules produced inherit their maximum allowed alterations. This critical conversion declines as initial feed composition increases. However
for systems with rA 1 and rB 1
as well as those with rA 1 and rB 1
the azeotropic behavior of the reactions is clearly observed. Besides
copolymer composition reaches azeotrope point at the end of the reaction when rA 1 and rB 1. Finally
for systems in which rA 1 and rB 1
randomness parameter becomes maximum at azeotrope point when rA equals rB.
Abstract
A Monte Carlo method was used to take thorough account of the influences of different reactivity ratios and initial feed compositions on copolymer microstructure. The model proves the lack of azeotropic behavior in systems in which rA 1 and rB 1 or vice versa; it is also able to calculate the drift in the copolymer properties: copolymer composition
and randomness parameter. Moreover
for each reactivity ratio pair given
there is a unique reaction conversion
at which macromolecules produced inherit their maximum allowed alterations. This critical conversion declines as initial feed composition increases. However
for systems with rA 1 and rB 1
as well as those with rA 1 and rB 1
the azeotropic behavior of the reactions is clearly observed. Besides
copolymer composition reaches azeotrope point at the end of the reaction when rA 1 and rB 1. Finally
for systems in which rA 1 and rB 1
randomness parameter becomes maximum at azeotrope point when rA equals rB.
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