Interactions between Rigid Polyelectrolytes Mediated by Ordering and Orientation of Multivalent Nonspherical Ions in Salt Solutions

Hossein Vahid; Alberto Scacchi; Maria Sammalkorpi; Tapio Ala-Nissila

doi:10.1103/PhysRevLett.130.158202

Interactions between Rigid Polyelectrolytes Mediated by Ordering and Orientation of Multivalent Nonspherical Ions in Salt Solutions

Loughborough University

Tutkimustuotos: Lehtiartikkeli › Article › Scientific › vertaisarvioitu

5 Viittaukset (Web of Science)

55 Lataukset (Pure)

Abstrakti

Multivalent ions in solutions with polyelectrolytes (PEs) induce electrostatic correlations that can drastically change ion distributions around the PEs and their mutual interactions. Using coarse-grained molecular dynamics simulations, we show how in addition to valency, ion shape and concentration can be harnessed as tools to control rigid like-charged PE-PE interactions. We demonstrate a correlation between the orientational ordering of aspherical ions and how they mediate the effective PE-PE attraction induced by multivalency. The interaction type, strength, and range can thus be externally controlled in ionic solutions. Our results can be used as generic guidelines to tune the self-assembly of like-charged polyelectrolytes by variation of the characteristics of the ions.

Alkuperäiskieli	Englanti
Artikkeli	158202
Julkaisu	Physical Review Letters
Vuosikerta	130
Numero	15
DOI - pysyväislinkit	https://doi.org/10.1103/PhysRevLett.130.158202
Tila	Julkaistu - 14 huhtik. 2023
OKM-julkaisutyyppi	A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Rahoitus

This work was supported by the Academy of Finland through its Centres of Excellence Programme (2022-2029, LIBER) under Project No. 346111 (M. S.) and Academy of Finland Project No. 307806 (PolyDyna) (T. A.-N.). The work was also supported by Technology Industries of Finland Centennial Foundation TT2020 grant (T. A.-N.). We are grateful for the support by FinnCERES Materials Bioeconomy Ecosystem. Computational resources by CSC IT Centre for Finland and RAMI—RawMatters Finland Infrastructure are also gratefully acknowledged.

Pääsy asiakirjaan

10.1103/PhysRevLett.130.158202Lisenssi: CC BY

SCI_Vahid_etal_Physical_Review_Letters_2023Final published version, 1,61 MBLisenssi: CC BY

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Linkki julkaisuun Scopuksessa

-: LIBER Sammalkorpi
Sammalkorpi, M. (Vastuullinen johtaja), Morais Jaques, Y. (Projektin jäsen), Lokka, A. (Projektin jäsen), Holl, M. (Projektin jäsen), Niemistö, M. (Projektin jäsen), Kastinen, T. (Projektin jäsen), Hasheminejad, K. (Projektin jäsen), Scacchi, A. (Projektin jäsen) & Harmat, A. (Projektin jäsen)
01/01/2022 → 31/12/2024
Projekti: RCF Academy Project
PolyDyna: Polymeeritranslokaation ja -dynamiikan multiskaalamallinnus nanofluidisissa systeemeissä
Ala-Nissilä, T. (Vastuullinen johtaja), Channe, S. (Projektin jäsen), Hashemi Petrudi, A. (Projektin jäsen), Conley, K. (Projektin jäsen), Muhli, H. (Projektin jäsen), Fan, Z. (Projektin jäsen), Seyedheydari, F. (Projektin jäsen), Alipour, S. (Projektin jäsen), Vadimov, V. (Projektin jäsen), Molla, J. (Projektin jäsen), Hirvonen, P. (Projektin jäsen), Alcanzare, M. (Projektin jäsen), Babu, A. (Projektin jäsen), Ferreira Sampaio, R. (Projektin jäsen) & Achim, C. (Projektin jäsen)
01/09/2017 → 31/12/2021
Projekti: Academy of Finland: Other research funding
Veden ja suolan vaikutus polyelektrolyyttikomplekseissa
Sammalkorpi, M. (Vastuullinen johtaja), Kyllönen, M. (Projektin jäsen), Mudedla, S. (Projektin jäsen), Mohammadyarloo, Z. (Projektin jäsen), Batys, P. (Projektin jäsen), Kastinen, T. (Projektin jäsen), Kivistö, S. (Projektin jäsen), Penttinen, R.-M. (Projektin jäsen), Scacchi, A. (Projektin jäsen), Leino, A. (Projektin jäsen), Javannikkhah, S. (Projektin jäsen), Harmat, A. (Projektin jäsen), Vahid, H. (Projektin jäsen), Vuorte, M. (Projektin jäsen), Khavani Sariani, M. (Projektin jäsen) & Kivimäki, I. (Projektin jäsen)
01/09/2017 → 31/12/2021
Projekti: Academy of Finland: Other research funding

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title = "Interactions between Rigid Polyelectrolytes Mediated by Ordering and Orientation of Multivalent Nonspherical Ions in Salt Solutions",

abstract = "Multivalent ions in solutions with polyelectrolytes (PEs) induce electrostatic correlations that can drastically change ion distributions around the PEs and their mutual interactions. Using coarse-grained molecular dynamics simulations, we show how in addition to valency, ion shape and concentration can be harnessed as tools to control rigid like-charged PE-PE interactions. We demonstrate a correlation between the orientational ordering of aspherical ions and how they mediate the effective PE-PE attraction induced by multivalency. The interaction type, strength, and range can thus be externally controlled in ionic solutions. Our results can be used as generic guidelines to tune the self-assembly of like-charged polyelectrolytes by variation of the characteristics of the ions.",

author = "Hossein Vahid and Alberto Scacchi and Maria Sammalkorpi and Tapio Ala-Nissila",

note = "Funding Information: This work was supported by the Academy of Finland through its Centres of Excellence Programme (2022-2029, LIBER) under Project No. 346111 (M. S.) and Academy of Finland Project No. 307806 (PolyDyna) (T. A.-N.). The work was also supported by Technology Industries of Finland Centennial Foundation TT2020 grant (T. A.-N.). We are grateful for the support by FinnCERES Materials Bioeconomy Ecosystem. Computational resources by CSC IT Centre for Finland and RAMI—RawMatters Finland Infrastructure are also gratefully acknowledged. Publisher Copyright: {\textcopyright} 2023 authors. Published by the American Physical Society.",

year = "2023",

month = apr,

day = "14",

doi = "10.1103/PhysRevLett.130.158202",

language = "English",

volume = "130",

journal = "Physical Review Letters",

issn = "0031-9007",

publisher = "American Physical Society",

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TY - JOUR

T1 - Interactions between Rigid Polyelectrolytes Mediated by Ordering and Orientation of Multivalent Nonspherical Ions in Salt Solutions

AU - Vahid, Hossein

AU - Scacchi, Alberto

AU - Sammalkorpi, Maria

AU - Ala-Nissila, Tapio

N1 - Funding Information: This work was supported by the Academy of Finland through its Centres of Excellence Programme (2022-2029, LIBER) under Project No. 346111 (M. S.) and Academy of Finland Project No. 307806 (PolyDyna) (T. A.-N.). The work was also supported by Technology Industries of Finland Centennial Foundation TT2020 grant (T. A.-N.). We are grateful for the support by FinnCERES Materials Bioeconomy Ecosystem. Computational resources by CSC IT Centre for Finland and RAMI—RawMatters Finland Infrastructure are also gratefully acknowledged. Publisher Copyright: © 2023 authors. Published by the American Physical Society.

PY - 2023/4/14

Y1 - 2023/4/14

N2 - Multivalent ions in solutions with polyelectrolytes (PEs) induce electrostatic correlations that can drastically change ion distributions around the PEs and their mutual interactions. Using coarse-grained molecular dynamics simulations, we show how in addition to valency, ion shape and concentration can be harnessed as tools to control rigid like-charged PE-PE interactions. We demonstrate a correlation between the orientational ordering of aspherical ions and how they mediate the effective PE-PE attraction induced by multivalency. The interaction type, strength, and range can thus be externally controlled in ionic solutions. Our results can be used as generic guidelines to tune the self-assembly of like-charged polyelectrolytes by variation of the characteristics of the ions.

AB - Multivalent ions in solutions with polyelectrolytes (PEs) induce electrostatic correlations that can drastically change ion distributions around the PEs and their mutual interactions. Using coarse-grained molecular dynamics simulations, we show how in addition to valency, ion shape and concentration can be harnessed as tools to control rigid like-charged PE-PE interactions. We demonstrate a correlation between the orientational ordering of aspherical ions and how they mediate the effective PE-PE attraction induced by multivalency. The interaction type, strength, and range can thus be externally controlled in ionic solutions. Our results can be used as generic guidelines to tune the self-assembly of like-charged polyelectrolytes by variation of the characteristics of the ions.

UR - https://www.scopus.com/pages/publications/85153097831

U2 - 10.1103/PhysRevLett.130.158202

DO - 10.1103/PhysRevLett.130.158202

M3 - Article

AN - SCOPUS:85153097831

SN - 0031-9007

VL - 130

JO - Physical Review Letters

JF - Physical Review Letters

IS - 15

M1 - 158202

ER -

Interactions between Rigid Polyelectrolytes Mediated by Ordering and Orientation of Multivalent Nonspherical Ions in Salt Solutions

Abstrakti

Rahoitus

Pääsy asiakirjaan

Muut tiedostot ja linkit

Sormenjälki

Projektit

-: LIBER Sammalkorpi

PolyDyna: Polymeeritranslokaation ja -dynamiikan multiskaalamallinnus nanofluidisissa systeemeissä

Veden ja suolan vaikutus polyelektrolyyttikomplekseissa

Laitteet

Raaka-aineiden tutkimusinfrastruktuuri

Science-IT

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