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Title
| - Modeling Copolymer Systems Using the Perturbed-Chain SAFTEquation of State
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Abstract
| - The perturbed-chain SAFT equation of state is extended to heterosegmented molecules and isapplied to copolymers with a well-defined (alternating) repeat-unit sequence as well as to systemswith a statistical sequence of the monomers in the backbone. Copolymers with a statisticalsequence of the constituting repeat units usually require an assumption on the sequence ofneighboring repeat units within the chain. A simple approach for defining such repeat-unitarrangements is proposed. Systems containing polyolefine copolymers (poly(ethylene-co-propylene) and poly(ethylene-co-1-butene)) covering the complete range of copolymer composition(including both of the appropriate homopolymers) were modeled in a mixture with solvents.Good results were found for mixtures of copolymer/solvent systems using constant interactionparameters. Copolymers comprising both nonpolar and polar repeat units, for example, poly(ethylene-co-vinyl acetate) and poly(ethylene-co-methyl acrylate), require an interaction parameter correcting the interactions between repeat units of different types, which depends on therepeat-unit composition.
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