Adsorption Behavior of Polymer Chain with Different Topology Structure at the Polymer-Nanoparticle Interface
The effect of the polymer chain topology structure on the adsorption behavior in the polymer-nanoparticle (NP) interface is investigated by employing coarse-grained molecular dynamics simulations in various polymer-NP interaction and chain stiffness. At a weak polymer-NP interaction, ring chain with...
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doaj-651640decf3c476b89440892915380822020-11-24T23:08:39ZengMDPI AGPolymers2073-43602018-05-0110659010.3390/polym10060590polym10060590Adsorption Behavior of Polymer Chain with Different Topology Structure at the Polymer-Nanoparticle InterfaceQingliang Song0Yongyun Ji1Shiben Li2Xianghong Wang3Linli He4Department of Physics, Wenzhou University, Wenzhou 325035, ChinaDepartment of Physics, Wenzhou University, Wenzhou 325035, ChinaDepartment of Physics, Wenzhou University, Wenzhou 325035, ChinaDepartment of Physics, Wenzhou University, Wenzhou 325035, ChinaDepartment of Physics, Wenzhou University, Wenzhou 325035, ChinaThe effect of the polymer chain topology structure on the adsorption behavior in the polymer-nanoparticle (NP) interface is investigated by employing coarse-grained molecular dynamics simulations in various polymer-NP interaction and chain stiffness. At a weak polymer-NP interaction, ring chain with a closed topology structure has a slight priority to occupy the interfacial region than linear chain. At a strong polymer-NP interaction, the “middle” adsorption mechanism dominates the polymer local packing in the interface. As the increase of chain stiffness, an interesting transition from ring to linear chain preferential adsorption behavior occurs. The semiflexible linear chain squeezes ring chain out of the interfacial region by forming a helical structure and wrapping tightly the surface of NP. In particular, this selective adsorption behavior becomes more dramatic for the case of rigid-like chain, in which 3D tangent conformation of linear chain is absolutely prior to the 2D plane orbital structure of ring chain. The local packing and competitive adsorption behavior of bidisperse matrix in polymer-NP interface can be explained based on the adsorption mechanism of monodisperse (pure ring or linear) case. These investigations may provide some insights into polymer-NP interfacial adsorption behavior and guide the design of high-performance nanocomposites.http://www.mdpi.com/2073-4360/10/6/590chain topologyselective adsorptionpolymer-NP interface |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Qingliang Song Yongyun Ji Shiben Li Xianghong Wang Linli He |
spellingShingle |
Qingliang Song Yongyun Ji Shiben Li Xianghong Wang Linli He Adsorption Behavior of Polymer Chain with Different Topology Structure at the Polymer-Nanoparticle Interface Polymers chain topology selective adsorption polymer-NP interface |
author_facet |
Qingliang Song Yongyun Ji Shiben Li Xianghong Wang Linli He |
author_sort |
Qingliang Song |
title |
Adsorption Behavior of Polymer Chain with Different Topology Structure at the Polymer-Nanoparticle Interface |
title_short |
Adsorption Behavior of Polymer Chain with Different Topology Structure at the Polymer-Nanoparticle Interface |
title_full |
Adsorption Behavior of Polymer Chain with Different Topology Structure at the Polymer-Nanoparticle Interface |
title_fullStr |
Adsorption Behavior of Polymer Chain with Different Topology Structure at the Polymer-Nanoparticle Interface |
title_full_unstemmed |
Adsorption Behavior of Polymer Chain with Different Topology Structure at the Polymer-Nanoparticle Interface |
title_sort |
adsorption behavior of polymer chain with different topology structure at the polymer-nanoparticle interface |
publisher |
MDPI AG |
series |
Polymers |
issn |
2073-4360 |
publishDate |
2018-05-01 |
description |
The effect of the polymer chain topology structure on the adsorption behavior in the polymer-nanoparticle (NP) interface is investigated by employing coarse-grained molecular dynamics simulations in various polymer-NP interaction and chain stiffness. At a weak polymer-NP interaction, ring chain with a closed topology structure has a slight priority to occupy the interfacial region than linear chain. At a strong polymer-NP interaction, the “middle” adsorption mechanism dominates the polymer local packing in the interface. As the increase of chain stiffness, an interesting transition from ring to linear chain preferential adsorption behavior occurs. The semiflexible linear chain squeezes ring chain out of the interfacial region by forming a helical structure and wrapping tightly the surface of NP. In particular, this selective adsorption behavior becomes more dramatic for the case of rigid-like chain, in which 3D tangent conformation of linear chain is absolutely prior to the 2D plane orbital structure of ring chain. The local packing and competitive adsorption behavior of bidisperse matrix in polymer-NP interface can be explained based on the adsorption mechanism of monodisperse (pure ring or linear) case. These investigations may provide some insights into polymer-NP interfacial adsorption behavior and guide the design of high-performance nanocomposites. |
topic |
chain topology selective adsorption polymer-NP interface |
url |
http://www.mdpi.com/2073-4360/10/6/590 |
work_keys_str_mv |
AT qingliangsong adsorptionbehaviorofpolymerchainwithdifferenttopologystructureatthepolymernanoparticleinterface AT yongyunji adsorptionbehaviorofpolymerchainwithdifferenttopologystructureatthepolymernanoparticleinterface AT shibenli adsorptionbehaviorofpolymerchainwithdifferenttopologystructureatthepolymernanoparticleinterface AT xianghongwang adsorptionbehaviorofpolymerchainwithdifferenttopologystructureatthepolymernanoparticleinterface AT linlihe adsorptionbehaviorofpolymerchainwithdifferenttopologystructureatthepolymernanoparticleinterface |
_version_ |
1725613101845315584 |