Influence of water concentration on its mobility in Matrimid®

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Influence of water concentration on its mobility in Matrimid®. / Petrov, Andrey V.; Smirnov, Michael A.; Sokolova, Maria P.; Toikka, Alexander M.

In: Coatings, Vol. 9, No. 8, 466, 08.2019.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{0146c7b7ef89484a96b89e51ac2625fd,

title = "Influence of water concentration on its mobility in Matrimid{\textregistered}",

abstract = "Mobility of water in polyheteroarylene (Matrimid{\textregistered}) was simulated at 300 K and different concentrations of water (0.5 wt.%-3 wt.%). Parameters of anomalous diffusion were calculated from molecular dynamics simulations on the base of mean square displacements of water molecules. It was found that mobility of water has nonmonotonic dependence on its concentration. Lower diffusion rates at concentrations below than 1 wt.% can be attributed to the sorption of water onto the polar groups of polymer (sorption sites). Decreasing of diffusion rate with increasing of water concentration is due to the formation of clusters of water molecules, which hampers the penetration of water between polymer chains.",

keywords = "Diffusion coefficient, Matrimid{\textregistered}, Membrane, Molecular dynamics, membrane, Matrimid (R), SORPTION, MEMBRANES, molecular dynamics, SIMULATION, VAPORS, TRANSPORT, DEHYDRATION, ETHANOL, POLYIMIDE, diffusion coefficient",

author = "Petrov, {Andrey V.} and Smirnov, {Michael A.} and Sokolova, {Maria P.} and Toikka, {Alexander M.}",

year = "2019",

month = aug,

doi = "10.3390/coatings9080466",

language = "English",

volume = "9",

journal = "Coatings",

issn = "2079-6412",

publisher = "MDPI AG",

number = "8",

}

RIS

TY - JOUR

T1 - Influence of water concentration on its mobility in Matrimid®

AU - Petrov, Andrey V.

AU - Smirnov, Michael A.

AU - Sokolova, Maria P.

AU - Toikka, Alexander M.

PY - 2019/8

Y1 - 2019/8

N2 - Mobility of water in polyheteroarylene (Matrimid®) was simulated at 300 K and different concentrations of water (0.5 wt.%-3 wt.%). Parameters of anomalous diffusion were calculated from molecular dynamics simulations on the base of mean square displacements of water molecules. It was found that mobility of water has nonmonotonic dependence on its concentration. Lower diffusion rates at concentrations below than 1 wt.% can be attributed to the sorption of water onto the polar groups of polymer (sorption sites). Decreasing of diffusion rate with increasing of water concentration is due to the formation of clusters of water molecules, which hampers the penetration of water between polymer chains.

AB - Mobility of water in polyheteroarylene (Matrimid®) was simulated at 300 K and different concentrations of water (0.5 wt.%-3 wt.%). Parameters of anomalous diffusion were calculated from molecular dynamics simulations on the base of mean square displacements of water molecules. It was found that mobility of water has nonmonotonic dependence on its concentration. Lower diffusion rates at concentrations below than 1 wt.% can be attributed to the sorption of water onto the polar groups of polymer (sorption sites). Decreasing of diffusion rate with increasing of water concentration is due to the formation of clusters of water molecules, which hampers the penetration of water between polymer chains.

KW - Diffusion coefficient

KW - Matrimid®

KW - Membrane

KW - Molecular dynamics

KW - membrane

KW - Matrimid (R)

KW - SORPTION

KW - MEMBRANES

KW - molecular dynamics

KW - SIMULATION

KW - VAPORS

KW - TRANSPORT

KW - DEHYDRATION

KW - ETHANOL

KW - POLYIMIDE

KW - diffusion coefficient

UR - http://www.scopus.com/inward/record.url?scp=85071155472&partnerID=8YFLogxK

UR - http://www.mendeley.com/research/influence-water-concentration-mobility-matrimid

U2 - 10.3390/coatings9080466

DO - 10.3390/coatings9080466

M3 - Article

AN - SCOPUS:85071155472

VL - 9

JO - Coatings

JF - Coatings

SN - 2079-6412

IS - 8

M1 - 466

ER -

ID: 50075834