GS20 Basics on Continuum Mechanics Model for Solid Solution Growth : The Next Presentation to JSME Annual Meeting 2014

2014 ◽  
Vol 2014 (0) ◽  
pp. _GS20-1_-_GS20-3_
Author(s):  
Hiromoto SUSAWA
2020 ◽  
Vol 167 ◽  
pp. 105287 ◽  
Author(s):  
Krzysztof Szajek ◽  
Wojciech Sumelka ◽  
Tomasz Blaszczyk ◽  
Krzysztof Bekus

2016 ◽  
Vol 08 (07) ◽  
pp. 1640002 ◽  
Author(s):  
Shuai Xu ◽  
Ying Wang ◽  
Jianying Hu ◽  
Zishun Liu

A polymer network can imbibe copious amounts of solvent (water) and swell, and the resulting state is known as a hydrogel. In this study, we have made the modification for the all-atom consistent valence force field (CVFF) to investigate the swelling property of polyacrylamide (PAM) hydrogel by molecular dynamics simulation. We have built 21 hydrogel models with different solvent contents and calculate the average chemical potential and diffusion coefficient of solvent molecules in PAM hydrogel. We find that when the mass fraction of solvent is about 90%, PAM hydrogel reaches its free swelling limitation and loses the motivation of absorbing solvent. Furthermore, it is also found that PAM hydrogel has a phase transition phenomenon when the values of solvent chemical potential are between [Formula: see text][Formula: see text]kcal/mol and [Formula: see text][Formula: see text]kcal/mol. This study will provide insight into the basic parameters which are widely used in continuum mechanics analysis of hydrogels from atomic point of view and help researchers to improve the continuum mechanics model for neutral hydrogel.


2018 ◽  
Vol 23 (2) ◽  
pp. 218-231 ◽  
Author(s):  
Liang Li ◽  
Ning He ◽  
Peng Wu ◽  
Yinfei Yang ◽  
Xiuqing Hao

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