Mesoscale simulations of spherulite growth during isothermal crystallization of polymer melts via an enhanced 3D phase-field model
A finite difference-based 3D phase-field model is developed to investigate the spherulite growth at the mesoscopic scale during the isothermal crystallization of polyamide (PA) 12. The model introduces a phase-field variable to distinguish the crystalline and amorphous phases of polymers. The phase-...
| Main Authors: | , , , , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2023
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/168997 |
| _version_ | 1811677036427608064 |
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| author | Li, Weidong Teo, Benjamin How Wei Chen, Kaijuan Zeng, Jun Zhou, Kun Du, Hejun |
| author2 | School of Mechanical and Aerospace Engineering |
| author_facet | School of Mechanical and Aerospace Engineering Li, Weidong Teo, Benjamin How Wei Chen, Kaijuan Zeng, Jun Zhou, Kun Du, Hejun |
| author_sort | Li, Weidong |
| collection | NTU |
| description | A finite difference-based 3D phase-field model is developed to investigate the spherulite growth at the mesoscopic scale during the isothermal crystallization of polyamide (PA) 12. The model introduces a phase-field variable to distinguish the crystalline and amorphous phases of polymers. The phase-field evolution equation is coupled with the heat conduction equation that considers the latent heat of crystallization. The evolution equations introduce both the dimensionless diffusivity and latent heat that are dependent on the crystallization temperature. A high-order finite difference-based numerical framework is applied to the phase-field model. Both the qualitative simulation results of the phase-field model such as the crystal morphologies and the quantitative results including the radial crystal growth rate, degree of crystallinity, and lamellar thickness are validated against experiments. The simulation for single-crystal growth shows that a high crystallization temperature results in a large crystal with a slow radial growth rate. The simulation for multi-crystal growth shows that the crystals impinge on each other and finally fill the whole domain during crystallization, which further demonstrates the capability of the model in simulating the spherulite growth during isothermal crystallization of polymer melts. |
| first_indexed | 2024-10-01T02:30:59Z |
| format | Journal Article |
| id | ntu-10356/168997 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T02:30:59Z |
| publishDate | 2023 |
| record_format | dspace |
| spelling | ntu-10356/1689972023-06-26T06:49:42Z Mesoscale simulations of spherulite growth during isothermal crystallization of polymer melts via an enhanced 3D phase-field model Li, Weidong Teo, Benjamin How Wei Chen, Kaijuan Zeng, Jun Zhou, Kun Du, Hejun School of Mechanical and Aerospace Engineering HP-NTU Digital Manufacturing Corporate Lab Engineering::Mechanical engineering Isothermal Crystallization 3D Spherulite Growth A finite difference-based 3D phase-field model is developed to investigate the spherulite growth at the mesoscopic scale during the isothermal crystallization of polyamide (PA) 12. The model introduces a phase-field variable to distinguish the crystalline and amorphous phases of polymers. The phase-field evolution equation is coupled with the heat conduction equation that considers the latent heat of crystallization. The evolution equations introduce both the dimensionless diffusivity and latent heat that are dependent on the crystallization temperature. A high-order finite difference-based numerical framework is applied to the phase-field model. Both the qualitative simulation results of the phase-field model such as the crystal morphologies and the quantitative results including the radial crystal growth rate, degree of crystallinity, and lamellar thickness are validated against experiments. The simulation for single-crystal growth shows that a high crystallization temperature results in a large crystal with a slow radial growth rate. The simulation for multi-crystal growth shows that the crystals impinge on each other and finally fill the whole domain during crystallization, which further demonstrates the capability of the model in simulating the spherulite growth during isothermal crystallization of polymer melts. Nanyang Technological University This research work was conducted in collaboration with HP Inc. and supported by Nanyang Technological University and the Singapore Government through the Industry Alignment Fund-Industry Collaboration Projects Grant (I1801E0028). 2023-06-26T06:49:42Z 2023-06-26T06:49:42Z 2023 Journal Article Li, W., Teo, B. H. W., Chen, K., Zeng, J., Zhou, K. & Du, H. (2023). Mesoscale simulations of spherulite growth during isothermal crystallization of polymer melts via an enhanced 3D phase-field model. Applied Mathematics and Computation, 446, 127873-. https://dx.doi.org/10.1016/j.amc.2023.127873 0096-3003 https://hdl.handle.net/10356/168997 10.1016/j.amc.2023.127873 2-s2.0-85147125685 446 127873 en I1801E0028 Applied Mathematics and Computation © 2023 Elsevier Inc. All rights reserved. |
| spellingShingle | Engineering::Mechanical engineering Isothermal Crystallization 3D Spherulite Growth Li, Weidong Teo, Benjamin How Wei Chen, Kaijuan Zeng, Jun Zhou, Kun Du, Hejun Mesoscale simulations of spherulite growth during isothermal crystallization of polymer melts via an enhanced 3D phase-field model |
| title | Mesoscale simulations of spherulite growth during isothermal crystallization of polymer melts via an enhanced 3D phase-field model |
| title_full | Mesoscale simulations of spherulite growth during isothermal crystallization of polymer melts via an enhanced 3D phase-field model |
| title_fullStr | Mesoscale simulations of spherulite growth during isothermal crystallization of polymer melts via an enhanced 3D phase-field model |
| title_full_unstemmed | Mesoscale simulations of spherulite growth during isothermal crystallization of polymer melts via an enhanced 3D phase-field model |
| title_short | Mesoscale simulations of spherulite growth during isothermal crystallization of polymer melts via an enhanced 3D phase-field model |
| title_sort | mesoscale simulations of spherulite growth during isothermal crystallization of polymer melts via an enhanced 3d phase field model |
| topic | Engineering::Mechanical engineering Isothermal Crystallization 3D Spherulite Growth |
| url | https://hdl.handle.net/10356/168997 |
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