{"title":"压力驱动流动中蚓状链在平面壁上吸附的耗散粒子动力学模拟","authors":"Shaofeng Xu, Zichen Wang, Yifan Yu, Chuzhen Zhu, Wei Zhang","doi":"10.1007/s10965-025-04468-z","DOIUrl":null,"url":null,"abstract":"<div><p>Adsorption of wormlike chain onto planar walls in a pressure-driven flow was investigated using dissipative particle dynamics (DPD) method. The wormlike chain was modeled by the well-known bead-spring chain connected by the Marko-Siggia spring. Under static condition, the wormlike chain is adsorbed onto the wall in an extended conformation and forms trains for a strongly adsorbed wall, while sections of the chain are adsorbed and the chains form loops and tails for a weakly adsorbed wall. In the presence of pressure-driven flow, our simulations show that the chain is stretched near the wall, and the chain-wall hydrodynamic interaction would lead to the desorption of the wormlike chain. The desorption is determined by an interplay between wall-chain attractive interaction and chain-wall hydrodynamic interaction. Increasing the flow strength would increase the chain-wall hydrodynamic interaction, thereby leading to a stronger desorption. The desorption rate <i>η</i> of worm-like chain is found to scale as <span>\\(n\\propto\\dot\\gamma^{0.6865}\\)</span> with shear rate <span>\\(\\dot\\gamma\\)</span>. For a strongly adsorbed wall, all sections of wormlike chain are adsorbed with trains conformation, which causes the chain-wall hydrodynamic interaction to be screened.</p></div>","PeriodicalId":658,"journal":{"name":"Journal of Polymer Research","volume":"32 9","pages":""},"PeriodicalIF":2.8000,"publicationDate":"2025-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Dissipative particle dynamics simulations of wormlike chain adsorption onto planar walls in a pressure-driven flow\",\"authors\":\"Shaofeng Xu, Zichen Wang, Yifan Yu, Chuzhen Zhu, Wei Zhang\",\"doi\":\"10.1007/s10965-025-04468-z\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Adsorption of wormlike chain onto planar walls in a pressure-driven flow was investigated using dissipative particle dynamics (DPD) method. The wormlike chain was modeled by the well-known bead-spring chain connected by the Marko-Siggia spring. Under static condition, the wormlike chain is adsorbed onto the wall in an extended conformation and forms trains for a strongly adsorbed wall, while sections of the chain are adsorbed and the chains form loops and tails for a weakly adsorbed wall. In the presence of pressure-driven flow, our simulations show that the chain is stretched near the wall, and the chain-wall hydrodynamic interaction would lead to the desorption of the wormlike chain. The desorption is determined by an interplay between wall-chain attractive interaction and chain-wall hydrodynamic interaction. Increasing the flow strength would increase the chain-wall hydrodynamic interaction, thereby leading to a stronger desorption. The desorption rate <i>η</i> of worm-like chain is found to scale as <span>\\\\(n\\\\propto\\\\dot\\\\gamma^{0.6865}\\\\)</span> with shear rate <span>\\\\(\\\\dot\\\\gamma\\\\)</span>. For a strongly adsorbed wall, all sections of wormlike chain are adsorbed with trains conformation, which causes the chain-wall hydrodynamic interaction to be screened.</p></div>\",\"PeriodicalId\":658,\"journal\":{\"name\":\"Journal of Polymer Research\",\"volume\":\"32 9\",\"pages\":\"\"},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2025-09-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Polymer Research\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10965-025-04468-z\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"POLYMER SCIENCE\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Polymer Research","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10965-025-04468-z","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"POLYMER SCIENCE","Score":null,"Total":0}
Dissipative particle dynamics simulations of wormlike chain adsorption onto planar walls in a pressure-driven flow
Adsorption of wormlike chain onto planar walls in a pressure-driven flow was investigated using dissipative particle dynamics (DPD) method. The wormlike chain was modeled by the well-known bead-spring chain connected by the Marko-Siggia spring. Under static condition, the wormlike chain is adsorbed onto the wall in an extended conformation and forms trains for a strongly adsorbed wall, while sections of the chain are adsorbed and the chains form loops and tails for a weakly adsorbed wall. In the presence of pressure-driven flow, our simulations show that the chain is stretched near the wall, and the chain-wall hydrodynamic interaction would lead to the desorption of the wormlike chain. The desorption is determined by an interplay between wall-chain attractive interaction and chain-wall hydrodynamic interaction. Increasing the flow strength would increase the chain-wall hydrodynamic interaction, thereby leading to a stronger desorption. The desorption rate η of worm-like chain is found to scale as \(n\propto\dot\gamma^{0.6865}\) with shear rate \(\dot\gamma\). For a strongly adsorbed wall, all sections of wormlike chain are adsorbed with trains conformation, which causes the chain-wall hydrodynamic interaction to be screened.
期刊介绍:
Journal of Polymer Research provides a forum for the prompt publication of articles concerning the fundamental and applied research of polymers. Its great feature lies in the diversity of content which it encompasses, drawing together results from all aspects of polymer science and technology.
As polymer research is rapidly growing around the globe, the aim of this journal is to establish itself as a significant information tool not only for the international polymer researchers in academia but also for those working in industry. The scope of the journal covers a wide range of the highly interdisciplinary field of polymer science and technology, including:
polymer synthesis;
polymer reactions;
polymerization kinetics;
polymer physics;
morphology;
structure-property relationships;
polymer analysis and characterization;
physical and mechanical properties;
electrical and optical properties;
polymer processing and rheology;
application of polymers;
supramolecular science of polymers;
polymer composites.