View in EDS

Advanced Polyethylene Wax via Zinc‐Enhanced Metallocene Catalysis: Insights Into Molecular Weight Regulation Mechanisms.

Saved in:
Bibliographic Details
Title: Advanced Polyethylene Wax via Zinc‐Enhanced Metallocene Catalysis: Insights Into Molecular Weight Regulation Mechanisms.
Authors: Gui, Xiao1 (AUTHOR), Liu, Ying1 (AUTHOR), Wang, Shijia1 (AUTHOR), Guo, Qishun1 (AUTHOR), Xing, Xinpeng1 (AUTHOR), Liu, Wei1 (AUTHOR), Jiang, Tao1 (AUTHOR), Yan, Bing1 (AUTHOR) yanbing@tust.edu.cn
Source: Macromolecular Reaction Engineering. Feb2026, Vol. 20 Issue 1, p1-12. 12p.
Subjects: Metallocene catalysts, Chain transfer (Chemistry), Waxes, Polymer structure, Density functional theory, Catalytic polymerization, Polymerization
Abstract: High‐end polyethylene wax (PE‐WAX) synthesized via ethylene polymerization is increasingly demanded for its superior physicochemical properties. Precise regulation of molecular weight and microstructure by metallocene catalysts remains a critical research focus. Herein, eight structurally distinct metallocene catalysts are systematically evaluated, with three optimal systems (M3, M4, M8) selected based on structure‐activity relationships. Zinc‐mediated chain transfer mechanisms and process optimization (Zn/Zr ratios, catalyst loading, temperature, pressure) are investigated through integrated experimental and density functional theory (DFT) studies. ZnEt2 addition effectively reduces molecular weights to the PE‐WAX range (1000–10 000 g/mol), while revealing catalyst‐dependent sensitivities: M8 demonstrates exceptional zinc responsiveness due to optimal electronic‐steric synergy (smallest HOMO(Catalyst)–LUMO(ZnEt2) gap ΔE = 0.094 eV, longest Zr‐C bond = 2.30 Å, shortest Zn‐C distance = 4.84 Å), enabling efficient chain transfer. Pressure exerts significant control over molecular weight (M8: 7.8 × 103–2.26 × 104 g/mol) and branching density (1.3–9.1/1000C). DFT calculations confirm reduced kinetic barriers originate from synergistic electronic effects and spatial accessibility, establishing M8 as the premier catalyst for tunable PE‐WAX production. [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.)
Database: Engineering Source
FullText Text:
  Availability: 0
Header DbId: egs
DbLabel: Engineering Source
An: 191631414
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: Advanced Polyethylene Wax via Zinc‐Enhanced Metallocene Catalysis: Insights Into Molecular Weight Regulation Mechanisms.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AR" term="%22Gui%2C+Xiao%22">Gui, Xiao</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Liu%2C+Ying%22">Liu, Ying</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Wang%2C+Shijia%22">Wang, Shijia</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Guo%2C+Qishun%22">Guo, Qishun</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Xing%2C+Xinpeng%22">Xing, Xinpeng</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Liu%2C+Wei%22">Liu, Wei</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Jiang%2C+Tao%22">Jiang, Tao</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Yan%2C+Bing%22">Yan, Bing</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> yanbing@tust.edu.cn</i>
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%22Macromolecular+Reaction+Engineering%22">Macromolecular Reaction Engineering</searchLink>. Feb2026, Vol. 20 Issue 1, p1-12. 12p.
– Name: Subject
  Label: Subjects
  Group: Su
  Data: <searchLink fieldCode="DE" term="%22Metallocene+catalysts%22">Metallocene catalysts</searchLink><br /><searchLink fieldCode="DE" term="%22Chain+transfer+%28Chemistry%29%22">Chain transfer (Chemistry)</searchLink><br /><searchLink fieldCode="DE" term="%22Waxes%22">Waxes</searchLink><br /><searchLink fieldCode="DE" term="%22Polymer+structure%22">Polymer structure</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink><br /><searchLink fieldCode="DE" term="%22Catalytic+polymerization%22">Catalytic polymerization</searchLink><br /><searchLink fieldCode="DE" term="%22Polymerization%22">Polymerization</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: High‐end polyethylene wax (PE‐WAX) synthesized via ethylene polymerization is increasingly demanded for its superior physicochemical properties. Precise regulation of molecular weight and microstructure by metallocene catalysts remains a critical research focus. Herein, eight structurally distinct metallocene catalysts are systematically evaluated, with three optimal systems (M3, M4, M8) selected based on structure‐activity relationships. Zinc‐mediated chain transfer mechanisms and process optimization (Zn/Zr ratios, catalyst loading, temperature, pressure) are investigated through integrated experimental and density functional theory (DFT) studies. ZnEt2 addition effectively reduces molecular weights to the PE‐WAX range (1000–10 000 g/mol), while revealing catalyst‐dependent sensitivities: M8 demonstrates exceptional zinc responsiveness due to optimal electronic‐steric synergy (smallest HOMO(Catalyst)–LUMO(ZnEt2) gap ΔE = 0.094 eV, longest Zr‐C bond = 2.30 Å, shortest Zn‐C distance = 4.84 Å), enabling efficient chain transfer. Pressure exerts significant control over molecular weight (M8: 7.8 × 103–2.26 × 104 g/mol) and branching density (1.3–9.1/1000C). DFT calculations confirm reduced kinetic barriers originate from synergistic electronic effects and spatial accessibility, establishing M8 as the premier catalyst for tunable PE‐WAX production. [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.)
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=191631414
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1002/mren.70003
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 12
        StartPage: 1
    Subjects:
      – SubjectFull: Metallocene catalysts
        Type: general
      – SubjectFull: Chain transfer (Chemistry)
        Type: general
      – SubjectFull: Waxes
        Type: general
      – SubjectFull: Polymer structure
        Type: general
      – SubjectFull: Density functional theory
        Type: general
      – SubjectFull: Catalytic polymerization
        Type: general
      – SubjectFull: Polymerization
        Type: general
    Titles:
      – TitleFull: Advanced Polyethylene Wax via Zinc‐Enhanced Metallocene Catalysis: Insights Into Molecular Weight Regulation Mechanisms.
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Gui, Xiao
      – PersonEntity:
          Name:
            NameFull: Liu, Ying
      – PersonEntity:
          Name:
            NameFull: Wang, Shijia
      – PersonEntity:
          Name:
            NameFull: Guo, Qishun
      – PersonEntity:
          Name:
            NameFull: Xing, Xinpeng
      – PersonEntity:
          Name:
            NameFull: Liu, Wei
      – PersonEntity:
          Name:
            NameFull: Jiang, Tao
      – PersonEntity:
          Name:
            NameFull: Yan, Bing
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 01
              M: 02
              Text: Feb2026
              Type: published
              Y: 2026
          Identifiers:
            – Type: issn-print
              Value: 1862832X
          Numbering:
            – Type: volume
              Value: 20
            – Type: issue
              Value: 1
          Titles:
            – TitleFull: Macromolecular Reaction Engineering
              Type: main
ResultId 1