Molecular Insights into the Wall Slip Behavior of Pseudoplastic Polymer Melt in Nanochannels during Micro Injection Molding
Wall slip directly affects the molding quality of plastic parts by influencing the stability of the filling flow field during micro injection molding. The accurate modeling of wall slip in nanochannels has been a great challenge for pseudoplastic polymer melts. Here, an effective modeling method for...
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-08-01
|
| Series: | Polymers |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4360/14/15/3218 |
| _version_ | 1797412477084893184 |
|---|---|
| author | Wangqing Wu Fengnan Duan Baishun Zhao Yuanbao Qiang Mingyong Zhou Bingyan Jiang |
| author_facet | Wangqing Wu Fengnan Duan Baishun Zhao Yuanbao Qiang Mingyong Zhou Bingyan Jiang |
| author_sort | Wangqing Wu |
| collection | DOAJ |
| description | Wall slip directly affects the molding quality of plastic parts by influencing the stability of the filling flow field during micro injection molding. The accurate modeling of wall slip in nanochannels has been a great challenge for pseudoplastic polymer melts. Here, an effective modeling method for polymer melt flow in nanochannels based on united-atom molecular dynamics simulations is presented. The effects of driving forces and wall–fluid interactions on the behavior of polyethylene melt under Poiseuille flow conditions were investigated by characterizing the slip velocity, dynamics information of the flow process, and spatial configuration parameters of molecular chains. The results indicated that the united-atom molecular dynamics model could better describe the pseudoplastic behavior in nanochannels than the commonly used finitely extensible nonlinear elastic (FENE) model. It was found that the slip velocity could be increased with increasing driving force and show completely opposite variation trends under different orders of magnitude of the wall–fluid interactions. The influence mechanism was interpreted by the density distribution and molecular chain structure parameters, including disentanglement and orientation, which also coincides with the change in the radius of gyration. |
| first_indexed | 2024-03-09T05:03:16Z |
| format | Article |
| id | doaj.art-063c92227a184ec4b86ea27cfc41bdb0 |
| institution | Directory Open Access Journal |
| issn | 2073-4360 |
| language | English |
| last_indexed | 2024-03-09T05:03:16Z |
| publishDate | 2022-08-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Polymers |
| spelling | doaj.art-063c92227a184ec4b86ea27cfc41bdb02023-12-03T12:57:25ZengMDPI AGPolymers2073-43602022-08-011415321810.3390/polym14153218Molecular Insights into the Wall Slip Behavior of Pseudoplastic Polymer Melt in Nanochannels during Micro Injection MoldingWangqing Wu0Fengnan Duan1Baishun Zhao2Yuanbao Qiang3Mingyong Zhou4Bingyan Jiang5State Key Laboratory of High Performance Complex Manufacturing, School of Mechanical and Electrical Engineering, Central South University, Changsha 410083, ChinaState Key Laboratory of High Performance Complex Manufacturing, School of Mechanical and Electrical Engineering, Central South University, Changsha 410083, ChinaState Key Laboratory of High Performance Complex Manufacturing, School of Mechanical and Electrical Engineering, Central South University, Changsha 410083, ChinaState Key Laboratory of High Performance Complex Manufacturing, School of Mechanical and Electrical Engineering, Central South University, Changsha 410083, ChinaState Key Laboratory of High Performance Complex Manufacturing, School of Mechanical and Electrical Engineering, Central South University, Changsha 410083, ChinaState Key Laboratory of High Performance Complex Manufacturing, School of Mechanical and Electrical Engineering, Central South University, Changsha 410083, ChinaWall slip directly affects the molding quality of plastic parts by influencing the stability of the filling flow field during micro injection molding. The accurate modeling of wall slip in nanochannels has been a great challenge for pseudoplastic polymer melts. Here, an effective modeling method for polymer melt flow in nanochannels based on united-atom molecular dynamics simulations is presented. The effects of driving forces and wall–fluid interactions on the behavior of polyethylene melt under Poiseuille flow conditions were investigated by characterizing the slip velocity, dynamics information of the flow process, and spatial configuration parameters of molecular chains. The results indicated that the united-atom molecular dynamics model could better describe the pseudoplastic behavior in nanochannels than the commonly used finitely extensible nonlinear elastic (FENE) model. It was found that the slip velocity could be increased with increasing driving force and show completely opposite variation trends under different orders of magnitude of the wall–fluid interactions. The influence mechanism was interpreted by the density distribution and molecular chain structure parameters, including disentanglement and orientation, which also coincides with the change in the radius of gyration.https://www.mdpi.com/2073-4360/14/15/3218wall slippoiseuille flowunited-atom modelpolymer meltmicro injection molding |
| spellingShingle | Wangqing Wu Fengnan Duan Baishun Zhao Yuanbao Qiang Mingyong Zhou Bingyan Jiang Molecular Insights into the Wall Slip Behavior of Pseudoplastic Polymer Melt in Nanochannels during Micro Injection Molding Polymers wall slip poiseuille flow united-atom model polymer melt micro injection molding |
| title | Molecular Insights into the Wall Slip Behavior of Pseudoplastic Polymer Melt in Nanochannels during Micro Injection Molding |
| title_full | Molecular Insights into the Wall Slip Behavior of Pseudoplastic Polymer Melt in Nanochannels during Micro Injection Molding |
| title_fullStr | Molecular Insights into the Wall Slip Behavior of Pseudoplastic Polymer Melt in Nanochannels during Micro Injection Molding |
| title_full_unstemmed | Molecular Insights into the Wall Slip Behavior of Pseudoplastic Polymer Melt in Nanochannels during Micro Injection Molding |
| title_short | Molecular Insights into the Wall Slip Behavior of Pseudoplastic Polymer Melt in Nanochannels during Micro Injection Molding |
| title_sort | molecular insights into the wall slip behavior of pseudoplastic polymer melt in nanochannels during micro injection molding |
| topic | wall slip poiseuille flow united-atom model polymer melt micro injection molding |
| url | https://www.mdpi.com/2073-4360/14/15/3218 |
| work_keys_str_mv | AT wangqingwu molecularinsightsintothewallslipbehaviorofpseudoplasticpolymermeltinnanochannelsduringmicroinjectionmolding AT fengnanduan molecularinsightsintothewallslipbehaviorofpseudoplasticpolymermeltinnanochannelsduringmicroinjectionmolding AT baishunzhao molecularinsightsintothewallslipbehaviorofpseudoplasticpolymermeltinnanochannelsduringmicroinjectionmolding AT yuanbaoqiang molecularinsightsintothewallslipbehaviorofpseudoplasticpolymermeltinnanochannelsduringmicroinjectionmolding AT mingyongzhou molecularinsightsintothewallslipbehaviorofpseudoplasticpolymermeltinnanochannelsduringmicroinjectionmolding AT bingyanjiang molecularinsightsintothewallslipbehaviorofpseudoplasticpolymermeltinnanochannelsduringmicroinjectionmolding |