Simulation of the structure and mechanics of crystalline 4,4'-diphenylmethane diisocyanate (MDI) with n -butanediol (BDO) as chain extender

We report molecular simulation, at the atomistic level, of crystalline 4,4'-diphenylmethane diisocyanate (MDI) with n-butanediol (BDO) as chain extender, henceforth denoted as MDI/BDO, which is one of the most important components of thermoplastic polyurethanes. This work studies the structure...

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Bibliographic Details
Main Authors: in 't Veld, Pieter J. (Author), Lempesis, Nikolaos (Contributor), Rutledge, Gregory C (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering (Contributor), Rutledge, Gregory C. (Contributor)
Format: Article
Language:English
Published: Elsevier, 2018-12-21T19:38:53Z.
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