Discrete modelling of ion diffusion in clays with overlapped electrical double layers.

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Title: Discrete modelling of ion diffusion in clays with overlapped electrical double layers.
Authors: Qu, Yongxiao1 (AUTHOR), Li, Bo1 (AUTHOR), Wang, LiGe2 (AUTHOR), Yan, Huaxiang3 (AUTHOR), Bian, Kang4 (AUTHOR), Jivkov, Andrey P.5 (AUTHOR), Xiong, Qingrong1 (AUTHOR) qingrong.xiong@sdu.edu.cn
Source: Journal of Radioanalytical & Nuclear Chemistry. May2026, Vol. 335 Issue 5, p3937-3951. 15p.
Subject Terms: *Electric double layer, *Debye length, *Ion migration & velocity, *Ion mobility, *Clay, *Van der Waals forces, *Porosity, *Computer simulation
Abstract: The electrical double layer (EDL) critically influences ion transport prediction in clay, yet current models fail to accurately simulate diffusion in highly compacted clay across broad ionic strengths, especially low concentrations (e.g., 0.01 mol/L). This work proposes a robust model integrating a pore network approach with pore-specific ion transport. Pores are categorized into three types based on Debye length and EDL overlap degree. Van der Waals forces are incorporated for pores with severe EDL overlap. The numerical results predicted under a larger span of anion and cation concentration agree well with the experimental data. [ABSTRACT FROM AUTHOR]
Database: Energy & Power Source
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Header DbId: enr
DbLabel: Energy & Power Source
An: 194006685
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
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  Label: Title
  Group: Ti
  Data: Discrete modelling of ion diffusion in clays with overlapped electrical double layers.
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  Data: <searchLink fieldCode="AR" term="%22Qu%2C+Yongxiao%22">Qu, Yongxiao</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Li%2C+Bo%22">Li, Bo</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Wang%2C+LiGe%22">Wang, LiGe</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Yan%2C+Huaxiang%22">Yan, Huaxiang</searchLink><relatesTo>3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Bian%2C+Kang%22">Bian, Kang</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Jivkov%2C+Andrey+P%2E%22">Jivkov, Andrey P.</searchLink><relatesTo>5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Xiong%2C+Qingrong%22">Xiong, Qingrong</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> qingrong.xiong@sdu.edu.cn</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Radioanalytical+%26+Nuclear+Chemistry%22">Journal of Radioanalytical & Nuclear Chemistry</searchLink>. May2026, Vol. 335 Issue 5, p3937-3951. 15p.
– Name: Subject
  Label: Subject Terms
  Group: Su
  Data: *<searchLink fieldCode="DE" term="%22Electric+double+layer%22">Electric double layer</searchLink><br />*<searchLink fieldCode="DE" term="%22Debye+length%22">Debye length</searchLink><br />*<searchLink fieldCode="DE" term="%22Ion+migration+%26+velocity%22">Ion migration & velocity</searchLink><br />*<searchLink fieldCode="DE" term="%22Ion+mobility%22">Ion mobility</searchLink><br />*<searchLink fieldCode="DE" term="%22Clay%22">Clay</searchLink><br />*<searchLink fieldCode="DE" term="%22Van+der+Waals+forces%22">Van der Waals forces</searchLink><br />*<searchLink fieldCode="DE" term="%22Porosity%22">Porosity</searchLink><br />*<searchLink fieldCode="DE" term="%22Computer+simulation%22">Computer simulation</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: The electrical double layer (EDL) critically influences ion transport prediction in clay, yet current models fail to accurately simulate diffusion in highly compacted clay across broad ionic strengths, especially low concentrations (e.g., 0.01 mol/L). This work proposes a robust model integrating a pore network approach with pore-specific ion transport. Pores are categorized into three types based on Debye length and EDL overlap degree. Van der Waals forces are incorporated for pores with severe EDL overlap. The numerical results predicted under a larger span of anion and cation concentration agree well with the experimental data. [ABSTRACT FROM AUTHOR]
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RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1007/s10967-026-10899-9
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 15
        StartPage: 3937
    Subjects:
      – SubjectFull: Electric double layer
        Type: general
      – SubjectFull: Debye length
        Type: general
      – SubjectFull: Ion migration & velocity
        Type: general
      – SubjectFull: Ion mobility
        Type: general
      – SubjectFull: Clay
        Type: general
      – SubjectFull: Van der Waals forces
        Type: general
      – SubjectFull: Porosity
        Type: general
      – SubjectFull: Computer simulation
        Type: general
    Titles:
      – TitleFull: Discrete modelling of ion diffusion in clays with overlapped electrical double layers.
        Type: main
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          Name:
            NameFull: Qu, Yongxiao
      – PersonEntity:
          Name:
            NameFull: Li, Bo
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          Name:
            NameFull: Wang, LiGe
      – PersonEntity:
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            NameFull: Yan, Huaxiang
      – PersonEntity:
          Name:
            NameFull: Bian, Kang
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            NameFull: Jivkov, Andrey P.
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          Name:
            NameFull: Xiong, Qingrong
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          Dates:
            – D: 01
              M: 05
              Text: May2026
              Type: published
              Y: 2026
          Identifiers:
            – Type: issn-print
              Value: 02365731
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            – Type: volume
              Value: 335
            – Type: issue
              Value: 5
          Titles:
            – TitleFull: Journal of Radioanalytical & Nuclear Chemistry
              Type: main
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