Aggregation Behavior of Nano-Silica in Polyvinyl Alcohol/Polyacrylamide Hydrogels Based on Dissipative Particle Dynamics
Due to the aggregation behavior of nano-silica in aqueous solution, the use of nano-silica without surface modification for synthesizing hydrogels is still a challenging task. This paper presents our study on the use of dissipative particle dynamics simulations to discover the aggregation behavior o...
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doaj-b3e01cc251bd4550887a35b8477e3a522020-11-24T21:48:27ZengMDPI AGPolymers2073-43602017-11-0191161110.3390/polym9110611polym9110611Aggregation Behavior of Nano-Silica in Polyvinyl Alcohol/Polyacrylamide Hydrogels Based on Dissipative Particle DynamicsQinghua Wei0Yanen Wang1Yingfeng Zhang2Xiongbiao Chen3Department of Industry Engineering, College of Mechanical Engineering, Northwestern Polytechnical University, Xi’an 710072, ChinaDepartment of Industry Engineering, College of Mechanical Engineering, Northwestern Polytechnical University, Xi’an 710072, ChinaDepartment of Industry Engineering, College of Mechanical Engineering, Northwestern Polytechnical University, Xi’an 710072, ChinaDepartment of Mechanical Engineering, College of Engineering, University of Saskatchewan, Saskatoon, SK S7N5A9, CanadaDue to the aggregation behavior of nano-silica in aqueous solution, the use of nano-silica without surface modification for synthesizing hydrogels is still a challenging task. This paper presents our study on the use of dissipative particle dynamics simulations to discover the aggregation behavior of nano-silica in polyvinyl alcohol (PVA)/polyacrylamide (PAM) blended hydrogels. By simulations, we aimed at investigating the effects of such factors as nano-silica content, polymer component ratio, temperature and shear rate on the aggregation behavior of nano-silica in terms of the mesoscopic morphologies and the relative concentration distribution functions. Our results reveal that the dispersion of nano-silica is seen if the nano-silica content is increased to 1.5%, and the aggregation of nano-silica becomes noticeable in blended hydrogels with an increase in the nano-silica content. This finding agrees well with the experimental results obtained by means of scanning electron microscopy. Furthermore, it is also found that the dispersion of nano-silica becomes more uniform with an increase in PAM content, temperature and shear rate. These findings greatly enrich our understanding of the aggregation behavior of nano-silica in PVA/PAM blended hydrogels.https://www.mdpi.com/2073-4360/9/11/611nano-silicaPVA/PAM blended hydrogeldissipative particle dynamicsaggregation behaviorrelative concentration distributions |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Qinghua Wei Yanen Wang Yingfeng Zhang Xiongbiao Chen |
spellingShingle |
Qinghua Wei Yanen Wang Yingfeng Zhang Xiongbiao Chen Aggregation Behavior of Nano-Silica in Polyvinyl Alcohol/Polyacrylamide Hydrogels Based on Dissipative Particle Dynamics Polymers nano-silica PVA/PAM blended hydrogel dissipative particle dynamics aggregation behavior relative concentration distributions |
author_facet |
Qinghua Wei Yanen Wang Yingfeng Zhang Xiongbiao Chen |
author_sort |
Qinghua Wei |
title |
Aggregation Behavior of Nano-Silica in Polyvinyl Alcohol/Polyacrylamide Hydrogels Based on Dissipative Particle Dynamics |
title_short |
Aggregation Behavior of Nano-Silica in Polyvinyl Alcohol/Polyacrylamide Hydrogels Based on Dissipative Particle Dynamics |
title_full |
Aggregation Behavior of Nano-Silica in Polyvinyl Alcohol/Polyacrylamide Hydrogels Based on Dissipative Particle Dynamics |
title_fullStr |
Aggregation Behavior of Nano-Silica in Polyvinyl Alcohol/Polyacrylamide Hydrogels Based on Dissipative Particle Dynamics |
title_full_unstemmed |
Aggregation Behavior of Nano-Silica in Polyvinyl Alcohol/Polyacrylamide Hydrogels Based on Dissipative Particle Dynamics |
title_sort |
aggregation behavior of nano-silica in polyvinyl alcohol/polyacrylamide hydrogels based on dissipative particle dynamics |
publisher |
MDPI AG |
series |
Polymers |
issn |
2073-4360 |
publishDate |
2017-11-01 |
description |
Due to the aggregation behavior of nano-silica in aqueous solution, the use of nano-silica without surface modification for synthesizing hydrogels is still a challenging task. This paper presents our study on the use of dissipative particle dynamics simulations to discover the aggregation behavior of nano-silica in polyvinyl alcohol (PVA)/polyacrylamide (PAM) blended hydrogels. By simulations, we aimed at investigating the effects of such factors as nano-silica content, polymer component ratio, temperature and shear rate on the aggregation behavior of nano-silica in terms of the mesoscopic morphologies and the relative concentration distribution functions. Our results reveal that the dispersion of nano-silica is seen if the nano-silica content is increased to 1.5%, and the aggregation of nano-silica becomes noticeable in blended hydrogels with an increase in the nano-silica content. This finding agrees well with the experimental results obtained by means of scanning electron microscopy. Furthermore, it is also found that the dispersion of nano-silica becomes more uniform with an increase in PAM content, temperature and shear rate. These findings greatly enrich our understanding of the aggregation behavior of nano-silica in PVA/PAM blended hydrogels. |
topic |
nano-silica PVA/PAM blended hydrogel dissipative particle dynamics aggregation behavior relative concentration distributions |
url |
https://www.mdpi.com/2073-4360/9/11/611 |
work_keys_str_mv |
AT qinghuawei aggregationbehaviorofnanosilicainpolyvinylalcoholpolyacrylamidehydrogelsbasedondissipativeparticledynamics AT yanenwang aggregationbehaviorofnanosilicainpolyvinylalcoholpolyacrylamidehydrogelsbasedondissipativeparticledynamics AT yingfengzhang aggregationbehaviorofnanosilicainpolyvinylalcoholpolyacrylamidehydrogelsbasedondissipativeparticledynamics AT xiongbiaochen aggregationbehaviorofnanosilicainpolyvinylalcoholpolyacrylamidehydrogelsbasedondissipativeparticledynamics |
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1725891995266711552 |