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RESEARCH PAPER · Accounts of Chemical Research · 2025

Population Balance Models for Catalytic Depolymerization: From Elementary Steps to Multiphase Reactors

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Population Balance Models for Catalytic Depolymerization: From Elementary Steps to Multiphase ReactorsOriginalEnlightening the Depolymerization Kinetic Mechanism in Reversed Atom Transfer Radical Polymerization via In Silico Modeling3Enhancing selectivity and yield in polyethylene hydrogenolysis using goal-aware Bayesian algorithm execution0Random-Scission Kinetics of Cured Epoxy Resin in Alkaline Sub-CW Based on a Coarse-Grained Network Structure0Experimental study and PBM-based numerical simulation of the stability of liquid metal nanofluids1Development of a Digital Twin for Anionic Polymerization–The Importance of Reliable Substance Data0Coupled Population Balance Models for Evolution of Alkane, α ‐Olefin, and α, ω ‐Olefin Molecular Weight Distributions During Polypropylene Thermal Pyrolysis0Molecular Insights into Competitive Adsorption in the Deconstruction of Mixed Polyolefin Waste0Population-Balance Modeling of Oligomer Evolution and Reactor-Configuration Effects in Poly(ethylene terephthalate) Glycolysis0

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  1. Enlightening the Depolymerization Kinetic Mechanism in Reversed Atom Transfer Radical Polymerization via In Silico Modeling

    Macromolecules · 2025-08-29

    Jiang Wang, Tiantian Wang, Chao Bian, Zheng‐Hong Luo, Yin‐Ning Zhou

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  2. Enhancing selectivity and yield in polyethylene hydrogenolysis using goal-aware Bayesian algorithm execution

    Digital Discovery · 2026-01-01

    Makenna L. Pennel, Akash Ramdas, Sean Gasiorowski, Sathya R. Chitturi, Willie Neiswanger, Nicholas Broadbent, Mike Dunne, Felipe H. da Jornada, Daniel Ratner, Christopher J. Tassone, Matteo Cargnello

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  3. Random-Scission Kinetics of Cured Epoxy Resin in Alkaline Sub-CW Based on a Coarse-Grained Network Structure

    Industrial & Engineering Chemistry Research · 2026-04-28

    Qi Zeng, Xiao-Sa Liu, Zibin Huang, Jingyi Yang, Jian‐Hong Gong, Pei‐Qing Yuan

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  4. Experimental study and PBM-based numerical simulation of the stability of liquid metal nanofluids

    Powder Technology · 2026-06-05

    Chaobo Li, Weijie Zhong, Yudong Liu, Zhenyu Lv, Jiayi Liu, Zongheng Zhang

    Read original paper ↗ ·
  5. Development of a Digital Twin for Anionic Polymerization–The Importance of Reliable Substance Data

    ACS Omega · 2026-06-22

    Felix Kandelhard, Juliane Schymura, Prokopios Georgopanos

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  6. Coupled Population Balance Models for Evolution of Alkane, α ‐Olefin, and α, ω ‐Olefin Molecular Weight Distributions During Polypropylene Thermal Pyrolysis

    ChemSusChem · 2026-07-21

    Jiankai Ge, John B. Russell, Uddhav Kanbur, Magali S. Ferrandon, Massimiliano Delferro, David M. Kaphan, Baron Peters

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  7. Molecular Insights into Competitive Adsorption in the Deconstruction of Mixed Polyolefin Waste

    ACS Catalysis · 2026-09-30

    Rajas M. Mehendale, Christine M. Oberhausen, Elisabeth Roberts, Dionisios G. Vlachos

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  8. Population-Balance Modeling of Oligomer Evolution and Reactor-Configuration Effects in Poly(ethylene terephthalate) Glycolysis

    Industrial & Engineering Chemistry Research · 2026-10-11

    Shu-Qi Zhang, Xiao-Sa Liu, Fan Ju, Jingyi Yang, Zibin Huang, Pei‐Qing Yuan

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