Quantifying the Effects of Spatial Inhomogeneity in an Autoclave LDPE Reactor Using CFD.

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Title: Quantifying the Effects of Spatial Inhomogeneity in an Autoclave LDPE Reactor Using CFD.
Authors: Yoder, Elijah1 (AUTHOR) epyoder@liberty.edu, Strasser, Wayne1 (AUTHOR)
Source: Macromolecular Reaction Engineering. Apr2026, Vol. 20 Issue 2, p1-16. 16p.
Subjects: Computational fluid dynamics, Spatial variation, Polymerization, Polymerization reactors, Addition polymerization
Abstract: Fluid simulations are cost‐effective and zero‐waste alternatives for research and development of polymer reactors. However, many polymer‐specific simulation software packages assume a homogeneous reactant mixture, overly simplifying the physics. Computational Fluid Dynamics (CFD) simulations provide more insight into this process but are difficult to utilize with detailed chemistry mechanisms. This work seeks to verify the implementation of free radical polymerization chemistry into a plant‐scale CFD reactor model for Low‐Density Polyethylene (LDPE) to investigate spatial gradients and their impact on the system. The process resulted in the most accurate CFD polymer reactor simulation to date, known to the authors, and sets a precedent for the verification and validation of other reactor models. It was found that the axial flow profiles formed distinct regions within the reactor wherein there were unmixed polymer properties. Significantly more variability was also found in the upstream‐most reactor zone compared to a downstream zone, exemplified by a coefficient of variation of 447% in the former and 0.372% in the latter for the polydispersity index on a central plane of the reactor. Additionally, noticeable differences in properties were found between the inside and outside of the mixing shaft, which were only fractions of a percent different. [ABSTRACT FROM AUTHOR]
Copyright of Macromolecular Reaction Engineering is the property of Wiley-Blackwell 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: Quantifying the Effects of Spatial Inhomogeneity in an Autoclave LDPE Reactor Using CFD.
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  Data: <searchLink fieldCode="AR" term="%22Yoder%2C+Elijah%22">Yoder, Elijah</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> epyoder@liberty.edu</i><br /><searchLink fieldCode="AR" term="%22Strasser%2C+Wayne%22">Strasser, Wayne</searchLink><relatesTo>1</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22Macromolecular+Reaction+Engineering%22">Macromolecular Reaction Engineering</searchLink>. Apr2026, Vol. 20 Issue 2, p1-16. 16p.
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  Data: <searchLink fieldCode="DE" term="%22Computational+fluid+dynamics%22">Computational fluid dynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Spatial+variation%22">Spatial variation</searchLink><br /><searchLink fieldCode="DE" term="%22Polymerization%22">Polymerization</searchLink><br /><searchLink fieldCode="DE" term="%22Polymerization+reactors%22">Polymerization reactors</searchLink><br /><searchLink fieldCode="DE" term="%22Addition+polymerization%22">Addition polymerization</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Fluid simulations are cost‐effective and zero‐waste alternatives for research and development of polymer reactors. However, many polymer‐specific simulation software packages assume a homogeneous reactant mixture, overly simplifying the physics. Computational Fluid Dynamics (CFD) simulations provide more insight into this process but are difficult to utilize with detailed chemistry mechanisms. This work seeks to verify the implementation of free radical polymerization chemistry into a plant‐scale CFD reactor model for Low‐Density Polyethylene (LDPE) to investigate spatial gradients and their impact on the system. The process resulted in the most accurate CFD polymer reactor simulation to date, known to the authors, and sets a precedent for the verification and validation of other reactor models. It was found that the axial flow profiles formed distinct regions within the reactor wherein there were unmixed polymer properties. Significantly more variability was also found in the upstream‐most reactor zone compared to a downstream zone, exemplified by a coefficient of variation of 447% in the former and 0.372% in the latter for the polydispersity index on a central plane of the reactor. Additionally, noticeable differences in properties were found between the inside and outside of the mixing shaft, which were only fractions of a percent different. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Macromolecular Reaction Engineering is the property of Wiley-Blackwell 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: 10.1002/mren.70015
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      – Code: eng
        Text: English
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        PageCount: 16
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    Subjects:
      – SubjectFull: Computational fluid dynamics
        Type: general
      – SubjectFull: Spatial variation
        Type: general
      – SubjectFull: Polymerization
        Type: general
      – SubjectFull: Polymerization reactors
        Type: general
      – SubjectFull: Addition polymerization
        Type: general
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      – TitleFull: Quantifying the Effects of Spatial Inhomogeneity in an Autoclave LDPE Reactor Using CFD.
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              Text: Apr2026
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              Y: 2026
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