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Monomer sequence length distributions of hard segments of linear segmented poly(urethane–urea)s 2: computer simulation by the Monte Carlo method
Author(s) -
Hanahata Hiroyuki,
Kamide Kenji
Publication year - 1995
Publication title -
polymer international
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.592
H-Index - 105
eISSN - 1097-0126
pISSN - 0959-8103
DOI - 10.1002/pi.1995.210380311
Subject(s) - prepolymer , monomer , polymer chemistry , ethylenediamine , materials science , random hexamer , sequence (biology) , monte carlo method , isocyanate , diamine , polyurethane , chemistry , crystallography , polymer , composite material , mathematics , organic chemistry , biochemistry , statistics
An attempt was made to calculate, by the Monte Carlo method, monomer sequence length distributions of the hard segment (MSLDH) within a linear segmented poly(urethane–urea) (PUR) synthesised by the prepolymer method in which an isocyanate‐terminated prepolymer. A…A, an unreacted monomer diisocyanate, BB, and a diamine as chain extender, XY, are reacted to form PUR. MSLDH is governed by the molar ratio of [A…A]/[BB] and is dramatically affected when three kinds of unequal reactivity associated with the reactants are significant simultaneously; the induced asymmetry, the penultimate effect of an NCO group, and the induced asymmetry of an amino group. By applying the above simulation technique, the unequal reactivities are estimated in both the prepolymerisation and polymerisation reactions based on methylenebis(4‐phenylisocyanate), MDI, poly(tetramethyleneoxide), PTMO, and ethylenediamine, EDA. In addition, the effect of the one‐shot method instead of the prepolymer method on MSLDH is also examined.