Simulation of nano elastic polymer chain displacement under pressure gradient/electroosmotic flow with the target of less dispersion of transition

Abstract Since non-scattering transfer of polymer chain in nanochannel is one of the important issue in biology, in this research, the behavior study of a long polymer chain in the nanofluid in two modes of free motion and restricted motion (fixed two ends) under two different forces including const...

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Autores principales:	Ramin Zakeri, Eon Soo Lee
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/ebde960e7d984674b7a5a479edd2e146
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spelling	oai:doaj.org-article:ebde960e7d984674b7a5a479edd2e1462021-12-02T19:16:11ZSimulation of nano elastic polymer chain displacement under pressure gradient/electroosmotic flow with the target of less dispersion of transition10.1038/s41598-021-99093-32045-2322https://doaj.org/article/ebde960e7d984674b7a5a479edd2e1462021-10-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-99093-3https://doaj.org/toc/2045-2322Abstract Since non-scattering transfer of polymer chain in nanochannel is one of the important issue in biology, in this research, the behavior study of a long polymer chain in the nanofluid in two modes of free motion and restricted motion (fixed two ends) under two different forces including constant force (pressure gradient (PG)) and variable force (electroosmotic force (EOF)) has been investigated using dissipative particle dynamics (DPD) method. Our aim is that displacement of polymer chain carries out with less dispersion. Initially, without the presence of polymer, the results have been validated in a nanochannel by analytical results for both cases (PG, EOF) with an error of less than 10%. Then, assuming 50 beads of polymer chain, the polymer chain motion in free motion and fixed two ends modes has been examined by different spring coefficients between beads and different forces including PG (0.01 DPD unite) and EOF (zeta potential = − 25 mV, electric field = 250 V/mm, kh parameter = 8). The results show that in free polymer motion-PG mode, by increasing 1.6 times of spring coefficient of the polymer, a 40% reduction in transition of polymer is achieved, which high dispersion of polymer chain is resulted for this mode. In the EOF, the spring coefficient has a slight effect on transferring of polymer and also, EOF moves the polymer chain with extremely low polymer chain scattering. Also, for fixed two ends-PG mode, a 36% reduction in displacement is achieved and in the same way, in EOF almost 39% declining in displacement is resulted by enhancing the spring coefficients. The results have developed to 25 and 100 beads which less dispersion of polymer chain transfer for free polymer chain-EOF is reported again for both circumstances and for restricted polymer chain state in two PG and EOF modes, less differences are reported for two cases. The results show that the EOF has the benefit of low dispersion for free polymer chain transfer, also, almost equal displacement for restricted polymer chain mode is observed for both cases.Ramin ZakeriEon Soo LeeNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-15 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Ramin Zakeri Eon Soo Lee Simulation of nano elastic polymer chain displacement under pressure gradient/electroosmotic flow with the target of less dispersion of transition
description	Abstract Since non-scattering transfer of polymer chain in nanochannel is one of the important issue in biology, in this research, the behavior study of a long polymer chain in the nanofluid in two modes of free motion and restricted motion (fixed two ends) under two different forces including constant force (pressure gradient (PG)) and variable force (electroosmotic force (EOF)) has been investigated using dissipative particle dynamics (DPD) method. Our aim is that displacement of polymer chain carries out with less dispersion. Initially, without the presence of polymer, the results have been validated in a nanochannel by analytical results for both cases (PG, EOF) with an error of less than 10%. Then, assuming 50 beads of polymer chain, the polymer chain motion in free motion and fixed two ends modes has been examined by different spring coefficients between beads and different forces including PG (0.01 DPD unite) and EOF (zeta potential = − 25 mV, electric field = 250 V/mm, kh parameter = 8). The results show that in free polymer motion-PG mode, by increasing 1.6 times of spring coefficient of the polymer, a 40% reduction in transition of polymer is achieved, which high dispersion of polymer chain is resulted for this mode. In the EOF, the spring coefficient has a slight effect on transferring of polymer and also, EOF moves the polymer chain with extremely low polymer chain scattering. Also, for fixed two ends-PG mode, a 36% reduction in displacement is achieved and in the same way, in EOF almost 39% declining in displacement is resulted by enhancing the spring coefficients. The results have developed to 25 and 100 beads which less dispersion of polymer chain transfer for free polymer chain-EOF is reported again for both circumstances and for restricted polymer chain state in two PG and EOF modes, less differences are reported for two cases. The results show that the EOF has the benefit of low dispersion for free polymer chain transfer, also, almost equal displacement for restricted polymer chain mode is observed for both cases.
format	article
author	Ramin Zakeri Eon Soo Lee
author_facet	Ramin Zakeri Eon Soo Lee
author_sort	Ramin Zakeri
title	Simulation of nano elastic polymer chain displacement under pressure gradient/electroosmotic flow with the target of less dispersion of transition
title_short	Simulation of nano elastic polymer chain displacement under pressure gradient/electroosmotic flow with the target of less dispersion of transition
title_full	Simulation of nano elastic polymer chain displacement under pressure gradient/electroosmotic flow with the target of less dispersion of transition
title_fullStr	Simulation of nano elastic polymer chain displacement under pressure gradient/electroosmotic flow with the target of less dispersion of transition
title_full_unstemmed	Simulation of nano elastic polymer chain displacement under pressure gradient/electroosmotic flow with the target of less dispersion of transition
title_sort	simulation of nano elastic polymer chain displacement under pressure gradient/electroosmotic flow with the target of less dispersion of transition
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/ebde960e7d984674b7a5a479edd2e146
work_keys_str_mv	AT raminzakeri simulationofnanoelasticpolymerchaindisplacementunderpressuregradientelectroosmoticflowwiththetargetoflessdispersionoftransition AT eonsoolee simulationofnanoelasticpolymerchaindisplacementunderpressuregradientelectroosmoticflowwiththetargetoflessdispersionoftransition
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Simulation of nano elastic polymer chain displacement under pressure gradient/electroosmotic flow with the target of less dispersion of transition

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