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<p>To better understand (and eventually to control more desirable) the nanofibrillation of thermoplastic polyester elastomer (TPEE) droplets in the high-density polyethylene (HDPE) matrix in a spunbond spinning machine, we develop an effective computational simulation system, and the simulation data are verified through experiments. The input required for simulation, such as the boundary conditions, is determined from the empirical data obtained from a series of fiber-in-fiber spunbonding experiments. To simplify the challenging task of simulating the nano-scale behavior of dispersed TPEE phase particles in HDPE’s microscale deformation within the spunbond machine, we employ two sequential simulation techniques. First, we conduct a large-scale overall spinning simulation of micro-sized HDPE fibers, ignoring the presence of the dispersed TPEE phase, to model the viscoelastic behavior of the HDPE melt in contact with cooling air. This is achieved by employing a commercial Computational Fluid Dynamics (CFD) system, specifically using the open-source rheoTool package. Second, the output from the large-scale spinning simulation is used to conduct a small-scale simulation of the TPEE phase deformation. We develop an in-house package to describe the deformation of TPEE droplets into nanofibers within the macroscopically fibrillated HDPE matrix, while accounting for droplet stretching, breakup, and coalescence within the matrix melt. Each droplet is modeled as a single particle interacting with the surrounding stress and strain fields and other droplets. The simulated TPEE nanofiber size, number, and spatial distribution were compared with the experimentally observed data obtained from scanning electron microscopy (SEM) images of the spunbonded HDPE/TPEE mixture.</p>

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Simplified dual-scale simulation framework for computational modeling of nanofibrillation phenomena via fiber in fiber technology with experimental data

  • 期刊论文

  • 发表日期：

    2026年2月16日

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  • Behrang Mohajer,
  • Mohamad Kheradmandkeysomi,
  • Saeid Amirzadeh,
  • Markus Bussmann,
  • Chul B. Park

摘要

To better understand (and eventually to control more desirable) the nanofibrillation of thermoplastic polyester elastomer (TPEE) droplets in the high-density polyethylene (HDPE) matrix in a spunbond spinning machine, we develop an effective computational simulation system, and the simulation data are verified through experiments. The input required for simulation, such as the boundary conditions, is determined from the empirical data obtained from a series of fiber-in-fiber spunbonding experiments. To simplify the challenging task of simulating the nano-scale behavior of dispersed TPEE phase particles in HDPE’s microscale deformation within the spunbond machine, we employ two sequential simulation techniques. First, we conduct a large-scale overall spinning simulation of micro-sized HDPE fibers, ignoring the presence of the dispersed TPEE phase, to model the viscoelastic behavior of the HDPE melt in contact with cooling air. This is achieved by employing a commercial Computational Fluid Dynamics (CFD) system, specifically using the open-source rheoTool package. Second, the output from the large-scale spinning simulation is used to conduct a small-scale simulation of the TPEE phase deformation. We develop an in-house package to describe the deformation of TPEE droplets into nanofibers within the macroscopically fibrillated HDPE matrix, while accounting for droplet stretching, breakup, and coalescence within the matrix melt. Each droplet is modeled as a single particle interacting with the surrounding stress and strain fields and other droplets. The simulated TPEE nanofiber size, number, and spatial distribution were compared with the experimentally observed data obtained from scanning electron microscopy (SEM) images of the spunbonded HDPE/TPEE mixture.