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 and p...

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Bibliographic Details
Main Authors: in ‘t Veld, Pieter J., Lempesis, Nikolaos, Rutledge, Gregory C
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering
Format: Article
Language:en_US
Published: Elsevier 2018
Online Access:http://hdl.handle.net/1721.1/119824
https://orcid.org/0000-0002-4104-9666
https://orcid.org/0000-0001-8137-1732

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