Chinese Journal of Tropical Crops ›› 2022, Vol. 43 ›› Issue (11): 2215-2223.DOI: 10.3969/j.issn.1000-2561.2022.11.005
• Special Topic of Natural Rubber • Previous Articles Next Articles
YUAN Xiaoqin, CAO Xianchao, MA Yanbin, YU Rentong, ZHAO Yanfang, CHEN Yongping, LIAO Jianhe()
Received:
2022-04-11
Revised:
2022-05-05
Online:
2022-11-25
Published:
2022-12-12
Contact:
LIAO Jianhe
About author:
*LIAO Jianhe,E-mail:990359@hainanu.edu.cn。CLC Number:
YUAN Xiaoqin, CAO Xianchao, MA Yanbin, YU Rentong, ZHAO Yanfang, CHEN Yongping, LIAO Jianhe. Molecular Simulation on Miscibility of NR/BR Blends[J]. Chinese Journal of Tropical Crops, 2022, 43(11): 2215-2223.
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名称 Name | 相对分子量 Relative molecular mass | 极限特征 比 | 粒子数 NDPD |
---|---|---|---|
NR | 350 000 | 5.45 | 810 |
BR | 120 000 | 5.60 | 496 |
Tab. 1 Coarse-grained parameters of NR and BR
名称 Name | 相对分子量 Relative molecular mass | 极限特征 比 | 粒子数 NDPD |
---|---|---|---|
NR | 350 000 | 5.45 | 810 |
BR | 120 000 | 5.60 | 496 |
序号 No. | NR/BR质量比 NR/BR mass ratio | 相互作用 Interation/(KJ·mol-1) |
---|---|---|
1 | 10/90 | 25.130 |
2 | 30/70 | 25.021 |
3 | 50/50 | 24.993 |
4 | 70/30 | 25.103 |
5 | 90/10 | 24.160 |
Tab. 2 DPD simulation parameters
序号 No. | NR/BR质量比 NR/BR mass ratio | 相互作用 Interation/(KJ·mol-1) |
---|---|---|
1 | 10/90 | 25.130 |
2 | 30/70 | 25.021 |
3 | 50/50 | 24.993 |
4 | 70/30 | 25.103 |
5 | 90/10 | 24.160 |
NR/ BR | CEDNR/ (×108J·m-3) | CEDBR/ (×108J·m-3) | CEDmix/ (×108J·m-3) | △Emix/ (J·m-3) | ||
---|---|---|---|---|---|---|
10/90 | 10.35 | 89.65 | 2.68 | 2.96 | 2.93 | 3.33E+05 |
30/70 | 29.76 | 70.24 | 2.68 | 2.96 | 2.88 | 4.62E+04 |
50/50 | 50.42 | 49.58 | 2.68 | 2.96 | 2.82 | -1.47E+04 |
70/30 | 69.55 | 30.45 | 2.68 | 2.96 | 2.77 | 2.08E+05 |
90/10 | 89.87 | 10.13 | 2.68 | 2.96 | 2.73 | -1.60E+06 |
Tab. 3 Volume fraction and mixing energy of NR/BR blends
NR/ BR | CEDNR/ (×108J·m-3) | CEDBR/ (×108J·m-3) | CEDmix/ (×108J·m-3) | △Emix/ (J·m-3) | ||
---|---|---|---|---|---|---|
10/90 | 10.35 | 89.65 | 2.68 | 2.96 | 2.93 | 3.33E+05 |
30/70 | 29.76 | 70.24 | 2.68 | 2.96 | 2.88 | 4.62E+04 |
50/50 | 50.42 | 49.58 | 2.68 | 2.96 | 2.82 | -1.47E+04 |
70/30 | 69.55 | 30.45 | 2.68 | 2.96 | 2.77 | 2.08E+05 |
90/10 | 89.87 | 10.13 | 2.68 | 2.96 | 2.73 | -1.60E+06 |
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