Unforced translocation of a polymer chain through a nanopore: the solvent effect.
Unforced translocation of a polymer chain through a nanopore: the solvent effect.
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DOI：
10.1063/1.2735627
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发表时间：
2007-05
期刊：
影响因子：
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通讯作者：
Dongshan Wei;Wen Yang;Xigao Jin;Q. Liao
中科院分区：
文献类型：
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作者：
Dongshan Wei;Wen Yang;Xigao Jin;Q. Liao
作者进行了Langevin动力学模拟，以研究非受迫聚合物通过不可渗透膜中的窄纳米孔的移位。溶剂质量的影响控制的吸引力强度λ的Lennard-Jones余弦电位之间的聚合物珠和珠在膜的两侧上的易位过程进行了广泛的检查。对于膜两侧相同溶剂质量下的聚合物迁移，二维和三维模拟证实了在良溶剂中迁移的tautrans近似为N1+ 2uppermance的标度律，其中tautrans为迁移时间，N为链长，uppermance为Flory指数。对于膜两侧不同溶剂质量下的三维聚合物迁移，迁移效率可显著提高。随着溶剂质量差的增大，τ transs与N之间的标度律从τ transs近似N1+ 2 → τ transs近似N变化，且在θ温度点发生交叉，模拟结果还表明，随着迁移时间的增加，迁移时间从宽的、不对称的长尾分布变为窄的、不对称的长尾分布，随着溶剂质量差的增大，分布呈对称性。
The authors have performed the Langevin dynamics simulation to investigate the unforced polymer translocation through a narrow nanopore in an impermeable membrane. The effects of solvent quality controlled by the attraction strength lambda of the Lennard-Jones cosine potential between polymer beads and beads on two sides of the membrane on the translocation processes are extensively examined. For polymer translocation under the same solvent quality on both sides of the membrane, the two-dimensional and three-dimensional simulations confirm the scaling law of tautrans approximately N1+2upsilon for the translocation in the good solvent, where tautrans is the translocation time, N is the chain length, and upsilon is the Flory exponent. For the three-dimensional polymer translocation under different solvent qualities on two sides of the membrane, the translocation efficiency may be notably improved. The scaling law between tautrans and N varies from tautrans approximately N1+2upsilon to tautrans approximately N with the increase of the difference of solvent qualities, and the crossover occurs at the theta temperature point, where a scaling law of tautrans approximately N1.27 is found. The simulation results here also show that the translocation time changes from a wide and asymmetric distribution with a long tail to a narrow and symmetric distribution with the increase of the difference of the solvent qualities.