Dissipative Particle Dynamics Simulation for the Self-Assembly of Symmetric Pentablock Terpolymers Melts under 1D Confinements
The phase behavior of CBABC pentablock terpolymers confined in thin films is investigated using the Dissipative Particle Dynamic method. Phase diagrams are constructed and used to reveal how chain length (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display=&qu...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-10-01
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| Series: | Polymers |
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| Online Access: | https://www.mdpi.com/2073-4360/15/19/3982 |
| _version_ | 1797575311626338304 |
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| author | Yingying Guo Linqing Bai |
| author_facet | Yingying Guo Linqing Bai |
| author_sort | Yingying Guo |
| collection | DOAJ |
| description | The phase behavior of CBABC pentablock terpolymers confined in thin films is investigated using the Dissipative Particle Dynamic method. Phase diagrams are constructed and used to reveal how chain length (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>i</mi></mrow></semantics></math></inline-formula>-block length), block composition and wall selectivity influence the self-assembly structures. Under neutral walls, four categories of morphologies, i.e., perpendicular lamellae, core–shell types of microstructures, complex networks, and half-domain morphologies, are identified with the change in <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>i</mi></mrow></semantics></math></inline-formula>-block length. Ordered structures are more common at weak polymer–polymer interaction strengths. For polymers of a consistent chain length, when one of the three components has a relatively smaller length, the morphologies transition is sensitive to block composition. With selective walls, parallel lamellae structures are prevalent. Wall selectivity also impacts chain conformations. While a large portion of chains form loop conformations under A-selective walls, more chains adopt bridge conformation when the wall prefers C-blocks. These findings offer insights for designing nanopatterns using symmetric pentablock terpolymers. |
| first_indexed | 2024-03-10T21:36:49Z |
| format | Article |
| id | doaj.art-677253f206b64a1eb517b8b9f1fa3cc6 |
| institution | Directory Open Access Journal |
| issn | 2073-4360 |
| language | English |
| last_indexed | 2024-03-10T21:36:49Z |
| publishDate | 2023-10-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Polymers |
| spelling | doaj.art-677253f206b64a1eb517b8b9f1fa3cc62023-11-19T14:57:16ZengMDPI AGPolymers2073-43602023-10-011519398210.3390/polym15193982Dissipative Particle Dynamics Simulation for the Self-Assembly of Symmetric Pentablock Terpolymers Melts under 1D ConfinementsYingying Guo0Linqing Bai1School of Science, Qingdao University of Technology, Qingdao 266525, ChinaSchool of Mechanical and Automotive Engineering, Qingdao University of Technology, Qingdao 266525, ChinaThe phase behavior of CBABC pentablock terpolymers confined in thin films is investigated using the Dissipative Particle Dynamic method. Phase diagrams are constructed and used to reveal how chain length (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>i</mi></mrow></semantics></math></inline-formula>-block length), block composition and wall selectivity influence the self-assembly structures. Under neutral walls, four categories of morphologies, i.e., perpendicular lamellae, core–shell types of microstructures, complex networks, and half-domain morphologies, are identified with the change in <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>i</mi></mrow></semantics></math></inline-formula>-block length. Ordered structures are more common at weak polymer–polymer interaction strengths. For polymers of a consistent chain length, when one of the three components has a relatively smaller length, the morphologies transition is sensitive to block composition. With selective walls, parallel lamellae structures are prevalent. Wall selectivity also impacts chain conformations. While a large portion of chains form loop conformations under A-selective walls, more chains adopt bridge conformation when the wall prefers C-blocks. These findings offer insights for designing nanopatterns using symmetric pentablock terpolymers.https://www.mdpi.com/2073-4360/15/19/3982symmetric pentablock terpolymresphase behaviorDPD simulation |
| spellingShingle | Yingying Guo Linqing Bai Dissipative Particle Dynamics Simulation for the Self-Assembly of Symmetric Pentablock Terpolymers Melts under 1D Confinements Polymers symmetric pentablock terpolymres phase behavior DPD simulation |
| title | Dissipative Particle Dynamics Simulation for the Self-Assembly of Symmetric Pentablock Terpolymers Melts under 1D Confinements |
| title_full | Dissipative Particle Dynamics Simulation for the Self-Assembly of Symmetric Pentablock Terpolymers Melts under 1D Confinements |
| title_fullStr | Dissipative Particle Dynamics Simulation for the Self-Assembly of Symmetric Pentablock Terpolymers Melts under 1D Confinements |
| title_full_unstemmed | Dissipative Particle Dynamics Simulation for the Self-Assembly of Symmetric Pentablock Terpolymers Melts under 1D Confinements |
| title_short | Dissipative Particle Dynamics Simulation for the Self-Assembly of Symmetric Pentablock Terpolymers Melts under 1D Confinements |
| title_sort | dissipative particle dynamics simulation for the self assembly of symmetric pentablock terpolymers melts under 1d confinements |
| topic | symmetric pentablock terpolymres phase behavior DPD simulation |
| url | https://www.mdpi.com/2073-4360/15/19/3982 |
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