Monomer sequence length distributions of hard segments of linear segmented poly(urethane–urea)s 2: computer simulation by the Monte Carlo method

Autor:	Hiroyuki Hanahata, Kenji Kamide
Rok vydání:	1995
Předmět:	Materials science Polymers and Plastics Organic Chemistry Monte Carlo method Ethylenediamine chemistry.chemical_compound Monomer chemistry Polymerization Diamine Polymer chemistry Materials Chemistry Copolymer Physical chemistry Reactivity (chemistry) Prepolymer
Zdroj:	Polymer International. 38:287-298
ISSN:	1097-0126 0959-8103
DOI:	10.1002/pi.1995.210380311
Popis:	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.
Databáze:	OpenAIRE
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