Comment on the paper “Molecular dynamics simulation and Monte Carlo study of transport and structural properties of PEBA 1657 and 2533 membranes modified by functionalized POSS-PEG material, Mahdieh Pazirofteh, Mostafa Dehghani, Saber Niazi, Amir H. Mohammadi, Morteza Asghari, Journal of Molecular Liquids 241 (2017) 646–653”

The present comment concerns some doubtful results included in the above paper. •The comment concerns some mistakes in the paper by Pazirofteh et al., J. Mol. Liq. 241 (2017) 646–653.•The applied segment ratio of PEO/PA6 groups in PEBA 1657 structure is wrong.•The wrong structure is created for PEBA...

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Bibliographic Details
Published in:Journal of molecular liquids 2019-11, Vol.294, p.111640, Article 111640
Main Authors: Elyasi Kojabad, Mahdi, Nouri, Mahdi, Babaluo, Ali Akbar
Format: Article
Language:English
Subjects:
Molecular dynamic structure
Molecular simulation
PEO/PA6 segment ratio
Poly ether block amide
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Summary:The present comment concerns some doubtful results included in the above paper. •The comment concerns some mistakes in the paper by Pazirofteh et al., J. Mol. Liq. 241 (2017) 646–653.•The applied segment ratio of PEO/PA6 groups in PEBA 1657 structure is wrong.•The wrong structure is created for PEBA 2533 by applying PEO instead of PTMO in its structure.•The correct MD structure of PEBA 1657 is presented based on the modified segment ratio of PEO/PA6.
ISSN:0167-7322
1873-3166
DOI:10.1016/j.molliq.2019.111640