Mathematical Models for Characterizing Heavy Metals Batch and Column Adsorption: Study of Adsorption, Transport Parameters, and Numerical Computation Cost.

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Title: Mathematical Models for Characterizing Heavy Metals Batch and Column Adsorption: Study of Adsorption, Transport Parameters, and Numerical Computation Cost.
Authors: Danish, Mohd1 (AUTHOR) mdanish357@gmail.com, Arman, Iram1 (AUTHOR), Al Mesfer, Mohammed K.2 (AUTHOR), Danish, Mohammad1 (AUTHOR) mohddanish.chem@zhcet.ac.in, Ansari, Khursheed B.2 (AUTHOR) khansari@kku.edu.sa, Aftab, Rameez Ahmad1 (AUTHOR), Zaidi, Sadaf3 (AUTHOR)
Source: Arabian Journal for Science & Engineering (Springer Science & Business Media B.V. ). Mar2025, Vol. 50 Issue 6, p3821-3839. 19p.
Subjects: Surface diffusion, Kirkendall effect, Partial differential equations, Heavy metals, Mass transfer, Mass transfer coefficients
Abstract: Several investigations have been conducted to examine the adsorption behavior of heavy metal ions, primarily focusing on isotherms, kinetics, and basic mathematical models. Nevertheless, these studies often lacked comprehensive mass transfer models to assess heavy metal adsorption in both batch and continuous modes. The current study showcases the application of diverse mathematical models to characterize both batch and column adsorption of Ni(II) onto epichlorohydrin-modified Putranjiva roxburghii seeds. The batch adsorption investigation employs the pore volume and surface diffusion (PVSD) model, while continuous adsorption of Ni(II) is represented by the convective–dispersive (CD) and PVSD-CD models. These mathematical formulations involve coupled algebraic, ordinary, and partial differential equations, which are solved numerically using gPROMS. In the batch mode, the predicted concentration decay curves exhibit an excellent agreement with experimental data, facilitating estimations of pore volume ( D P ≈10–11 m2/s) and surface diffusion ( D S ≈ 10–13 m2/s) coefficients. Similarly, for column adsorption, the breakthrough curves estimated through a combined CD and PVSD-CD approach demonstrate a good fit with experimental data, providing values for mass transfer coefficient ( k L ≈10–4 m/s), axial dispersion coefficient ( D L , D P , and D S ). The efficacy of the models in depicting Ni(II)-EPRS adsorption systems, both in batch and continuous modes, is assessed through statistical analysis. Additionally, the computational cost of simulation is evaluated across various realistic scenarios, encompassing different transport parameters, isotherm types, variables, mesh sizes, and reporting time intervals. These findings illuminate crucial aspects relevant to numerical simulation and hold promise for informing more complex adsorption operations. [ABSTRACT FROM AUTHOR]
Copyright of Arabian Journal for Science & Engineering (Springer Science & Business Media B.V. ) is the property of Springer Nature 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: Mathematical Models for Characterizing Heavy Metals Batch and Column Adsorption: Study of Adsorption, Transport Parameters, and Numerical Computation Cost.
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  Data: <searchLink fieldCode="DE" term="%22Surface+diffusion%22">Surface diffusion</searchLink><br /><searchLink fieldCode="DE" term="%22Kirkendall+effect%22">Kirkendall effect</searchLink><br /><searchLink fieldCode="DE" term="%22Partial+differential+equations%22">Partial differential equations</searchLink><br /><searchLink fieldCode="DE" term="%22Heavy+metals%22">Heavy metals</searchLink><br /><searchLink fieldCode="DE" term="%22Mass+transfer%22">Mass transfer</searchLink><br /><searchLink fieldCode="DE" term="%22Mass+transfer+coefficients%22">Mass transfer coefficients</searchLink>
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  Data: Several investigations have been conducted to examine the adsorption behavior of heavy metal ions, primarily focusing on isotherms, kinetics, and basic mathematical models. Nevertheless, these studies often lacked comprehensive mass transfer models to assess heavy metal adsorption in both batch and continuous modes. The current study showcases the application of diverse mathematical models to characterize both batch and column adsorption of Ni(II) onto epichlorohydrin-modified Putranjiva roxburghii seeds. The batch adsorption investigation employs the pore volume and surface diffusion (PVSD) model, while continuous adsorption of Ni(II) is represented by the convective–dispersive (CD) and PVSD-CD models. These mathematical formulations involve coupled algebraic, ordinary, and partial differential equations, which are solved numerically using gPROMS. In the batch mode, the predicted concentration decay curves exhibit an excellent agreement with experimental data, facilitating estimations of pore volume ( D P ≈10–11 m2/s) and surface diffusion ( D S ≈ 10–13 m2/s) coefficients. Similarly, for column adsorption, the breakthrough curves estimated through a combined CD and PVSD-CD approach demonstrate a good fit with experimental data, providing values for mass transfer coefficient ( k L ≈10–4 m/s), axial dispersion coefficient ( D L , D P , and D S ). The efficacy of the models in depicting Ni(II)-EPRS adsorption systems, both in batch and continuous modes, is assessed through statistical analysis. Additionally, the computational cost of simulation is evaluated across various realistic scenarios, encompassing different transport parameters, isotherm types, variables, mesh sizes, and reporting time intervals. These findings illuminate crucial aspects relevant to numerical simulation and hold promise for informing more complex adsorption operations. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Arabian Journal for Science & Engineering (Springer Science & Business Media B.V. ) is the property of Springer Nature 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: 10.1007/s13369-024-09164-6
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        Text: English
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        PageCount: 19
        StartPage: 3821
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      – SubjectFull: Surface diffusion
        Type: general
      – SubjectFull: Kirkendall effect
        Type: general
      – SubjectFull: Partial differential equations
        Type: general
      – SubjectFull: Heavy metals
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      – SubjectFull: Mass transfer
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      – SubjectFull: Mass transfer coefficients
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      – TitleFull: Mathematical Models for Characterizing Heavy Metals Batch and Column Adsorption: Study of Adsorption, Transport Parameters, and Numerical Computation Cost.
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              Text: Mar2025
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