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Experimental and Molecular Dynamics Study of Pyrite Effects on the Flocculation of Clayey Tailings in Seawater.

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Title: Experimental and Molecular Dynamics Study of Pyrite Effects on the Flocculation of Clayey Tailings in Seawater.
Authors: Nieto, Steven1 (AUTHOR), Piceros, Eder2 (AUTHOR), Quezada, Gonzalo R.3 (AUTHOR), Betancourt, Fernando4 (AUTHOR), Robles, Pedro5 (AUTHOR), Leiva, Williams6 (AUTHOR), Jeldres, Ricardo I.7,8 (AUTHOR) ricardo.jeldres@uantof.cl
Source: Polymers (20734360). Nov2025, Vol. 17 Issue 21, p2895. 17p.
Subjects: Pyrites, Flocculation, Polyacrylamide, Sediments, Sedimentation & deposition, Seawater, Molecular dynamics, Zeta potential
Abstract: This study investigates the effect of pyrite content on the flocculation and sedimentation of clay-based tailings composed of kaolin, quartz, and pyrite in seawater at pH 8. A high-molecular-weight anionic hydrolyzed polyacrylamide (SNF 704) was used in batch settling tests, supported by floc characterization with FBRM, zeta potential measurements, and molecular dynamics (MD) simulations. Results showed that increasing pyrite content reduced the maximum floc size and increased the fraction of unflocculated fines, particularly at 10 g/t dosage. Although the fractal dimension remained nearly constant (1.92–1.97 at 10 g/t and 2.05–2.08 at 30 g/t), floc density increased linearly with pyrite proportion due to its higher specific gravity. Zeta potential analysis confirmed strong polymer–pyrite interactions, with charge inversion from +5.3 to −4.5 mV, while MD simulations indicated that adsorption occurs mainly through aliphatic chain segments, in contrast to hydrogen bonding observed for quartz and kaolinite. These findings demonstrate that pyrite affects flocculation dynamics both by its density and by specific polymer–surface interactions, directly influencing floc size, density, and sedimentation performance in seawater thickening systems. [ABSTRACT FROM AUTHOR]
Copyright of Polymers (20734360) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Experimental and Molecular Dynamics Study of Pyrite Effects on the Flocculation of Clayey Tailings in Seawater.
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  Data: <searchLink fieldCode="AR" term="%22Nieto%2C+Steven%22">Nieto, Steven</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Piceros%2C+Eder%22">Piceros, Eder</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Quezada%2C+Gonzalo+R%2E%22">Quezada, Gonzalo R.</searchLink><relatesTo>3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Betancourt%2C+Fernando%22">Betancourt, Fernando</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Robles%2C+Pedro%22">Robles, Pedro</searchLink><relatesTo>5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Leiva%2C+Williams%22">Leiva, Williams</searchLink><relatesTo>6</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Jeldres%2C+Ricardo+I%2E%22">Jeldres, Ricardo I.</searchLink><relatesTo>7,8</relatesTo> (AUTHOR)<i> ricardo.jeldres@uantof.cl</i>
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  Data: <searchLink fieldCode="JN" term="%22Polymers+%2820734360%29%22">Polymers (20734360)</searchLink>. Nov2025, Vol. 17 Issue 21, p2895. 17p.
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  Data: <searchLink fieldCode="DE" term="%22Pyrites%22">Pyrites</searchLink><br /><searchLink fieldCode="DE" term="%22Flocculation%22">Flocculation</searchLink><br /><searchLink fieldCode="DE" term="%22Polyacrylamide%22">Polyacrylamide</searchLink><br /><searchLink fieldCode="DE" term="%22Sediments%22">Sediments</searchLink><br /><searchLink fieldCode="DE" term="%22Sedimentation+%26+deposition%22">Sedimentation & deposition</searchLink><br /><searchLink fieldCode="DE" term="%22Seawater%22">Seawater</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Zeta+potential%22">Zeta potential</searchLink>
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  Data: This study investigates the effect of pyrite content on the flocculation and sedimentation of clay-based tailings composed of kaolin, quartz, and pyrite in seawater at pH 8. A high-molecular-weight anionic hydrolyzed polyacrylamide (SNF 704) was used in batch settling tests, supported by floc characterization with FBRM, zeta potential measurements, and molecular dynamics (MD) simulations. Results showed that increasing pyrite content reduced the maximum floc size and increased the fraction of unflocculated fines, particularly at 10 g/t dosage. Although the fractal dimension remained nearly constant (1.92–1.97 at 10 g/t and 2.05–2.08 at 30 g/t), floc density increased linearly with pyrite proportion due to its higher specific gravity. Zeta potential analysis confirmed strong polymer–pyrite interactions, with charge inversion from +5.3 to −4.5 mV, while MD simulations indicated that adsorption occurs mainly through aliphatic chain segments, in contrast to hydrogen bonding observed for quartz and kaolinite. These findings demonstrate that pyrite affects flocculation dynamics both by its density and by specific polymer–surface interactions, directly influencing floc size, density, and sedimentation performance in seawater thickening systems. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Polymers (20734360) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.3390/polym17212895
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      – Code: eng
        Text: English
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      Pagination:
        PageCount: 17
        StartPage: 2895
    Subjects:
      – SubjectFull: Pyrites
        Type: general
      – SubjectFull: Flocculation
        Type: general
      – SubjectFull: Polyacrylamide
        Type: general
      – SubjectFull: Sediments
        Type: general
      – SubjectFull: Sedimentation & deposition
        Type: general
      – SubjectFull: Seawater
        Type: general
      – SubjectFull: Molecular dynamics
        Type: general
      – SubjectFull: Zeta potential
        Type: general
    Titles:
      – TitleFull: Experimental and Molecular Dynamics Study of Pyrite Effects on the Flocculation of Clayey Tailings in Seawater.
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            NameFull: Nieto, Steven
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            NameFull: Piceros, Eder
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            NameFull: Quezada, Gonzalo R.
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            NameFull: Betancourt, Fernando
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            – D: 01
              M: 11
              Text: Nov2025
              Type: published
              Y: 2025
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              Value: 17
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