Phantom chain simulations for fracture of star polymer networks on the effect of arm molecular weight
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arXiv
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| Format: | Preprint |
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2024
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| _version_ | 1866912860334981120 |
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| author | Masubuchi, Yuichi |
| author_facet | Masubuchi, Yuichi |
| contents | This study investigated the fracture of star polymer networks made from prepolymers with various arm molecular weights in the range $2 \leq N_a \leq 0$, for node functionalities $3 \leq f \leq 8$ and conversion ratios $0.6\leqϕ_c\leq0.95$ by phantom chain simulations. The networks were created via end-linking reactions of star polymers dispersed in a simulation box with a fixed monomer density $ρ=8$. The resultant networks were alternatively subjected to energy minimization and uniaxial stretch until the break. The stretch at the break, $λ_b$, depended on the strand molecular weight $N_s=2N_a+1$ with a power-law manner described as $λ_b \sim N_s^0.67$, consistent with the experiment. However, the strand length before stretch is proportional to $N_s^0.5$, which does not explain the observed N_s-dependence of $λ_b$. The analysis based on the non-affine deformation theory does not interpret the phenomenon either. Instead, the increase of normalized prepolymer concentration concerning the overlapping concentration with increasing $N_s$ explains the result through a rise in the fraction of broken strands. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2408_14058 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Phantom chain simulations for fracture of star polymer networks on the effect of arm molecular weight Masubuchi, Yuichi Soft Condensed Matter This study investigated the fracture of star polymer networks made from prepolymers with various arm molecular weights in the range $2 \leq N_a \leq 0$, for node functionalities $3 \leq f \leq 8$ and conversion ratios $0.6\leqϕ_c\leq0.95$ by phantom chain simulations. The networks were created via end-linking reactions of star polymers dispersed in a simulation box with a fixed monomer density $ρ=8$. The resultant networks were alternatively subjected to energy minimization and uniaxial stretch until the break. The stretch at the break, $λ_b$, depended on the strand molecular weight $N_s=2N_a+1$ with a power-law manner described as $λ_b \sim N_s^0.67$, consistent with the experiment. However, the strand length before stretch is proportional to $N_s^0.5$, which does not explain the observed N_s-dependence of $λ_b$. The analysis based on the non-affine deformation theory does not interpret the phenomenon either. Instead, the increase of normalized prepolymer concentration concerning the overlapping concentration with increasing $N_s$ explains the result through a rise in the fraction of broken strands. |
| title | Phantom chain simulations for fracture of star polymer networks on the effect of arm molecular weight |
| topic | Soft Condensed Matter |
| url | https://arxiv.org/abs/2408.14058 |