《Table 1 Interaction parameters (aij) used in this article》
本系列图表出处文件名:随高清版一同展现
《"Phase diagrams, mechanisms and unique characteristics of alternating-structured polymer self-assembly via simulations"》
As a general model,(AxBy) nwas constructed to represent different ASPs(Figure 1),where Axand Byrepresent the solvophilic and solvophobic repeating segments,respectively.x and y are the bead number of A and B,and n is the degree of polymerization(DP).In this work,the sum of x and y is fixed to around 16.To study the effect of the solvophilic/solvophobic ratio,five groups of ASPs with various volume fractions of solvophilic A(fA)were constructed,in which the value of x:y varied in the range of 4:12,5:10,8:8,10:5 and12:4(fAis 1/4,1/3,1/2,2/3 and 3/4,respectively).The value of n is determined in the next section.The repulsive interaction parameters aij(Table 1)were changeable to study the effect of solvent-selectivity of A(aAS)and B(aBS)and the incompatibility between A and B(aAB).Besides,bonds between two beads were modeled using harmonic springs as shown in the Supporting Information online,and the spring constant K=4.0 and the equilibrium length r0=0 were adopted in our simulations.Furthermore,the effect of the value of K and r0on the self-assembly behaviors was studied,which showed the consistent qualitative behaviors of the system as shown in Figure S1(Supporting Information online).
图表编号 | XD0034633000 严禁用于非法目的 |
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绘制时间 | 2019.02.01 |
作者 | Shanlong Li、Chunyang Yu、Yongfeng Zhou |
绘制单位 | School of Chemistry & Chemical Engineering, State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University、School of Chemistry & Chemical Engineering, State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University、School of |
更多格式 | 高清、无水印(增值服务) |