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纸质出版日期:2008-11-20,
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马定洋, 章林溪. 拉力诱导下的紧密高分子链相变行为[J]. 高分子学报, 2008,(11):1055-1060.
MA Dingyang, ZHANG Linxi. PULL-INDUCED PHASE TRANSITION IN COMPACT CHAINS[J]. Acta Polymerica Sinica, 2008,(11):1055-1060.
马定洋, 章林溪. 拉力诱导下的紧密高分子链相变行为[J]. 高分子学报, 2008,(11):1055-1060. DOI: 10.3724/SP.J.1105.2008.01055.
MA Dingyang, ZHANG Linxi. PULL-INDUCED PHASE TRANSITION IN COMPACT CHAINS[J]. Acta Polymerica Sinica, 2008,(11):1055-1060. DOI: 10.3724/SP.J.1105.2008.01055.
采用相互作用自回避行走(interacting self-avoiding walks
ISAWS)模型研究了一端固定的紧密高分子链在拉伸过程中的低温相变行为,观察到在拉伸过程中当温度T0.1时平均拉力会出现一个震荡,随着温度的升高这种震荡现象又渐渐消失,这是由于紧密高分子链在低温时类似于 β 折叠的“冻结构象"被拉开而引起的.比较吸附条件下和无吸附作用下平均拉力、自由能以及相变行为的差别,发现在吸附条件下在拉伸的初始阶段为了克服表面吸附的相互作用,拉力会出现一个峰.吸附作用也使得外界作用到高分子链上的实际有效拉力减小,造成崩塌相态(collapsed phase)区域面积减少.另外发现在吸附条件下平均拉力还受温度变化的影响.在拉伸的初期由于单体间存在体积排除效应,平均拉力是随着温度的升高而降低,随着拉伸的深入当末端距到达一定长度时平均拉力是随着温度的升高而增加.并同 Kumar 等人在不考虑吸附作用下拉伸紧密高分子链得到的结果进行了比较.这些研究对于进一步研究外力诱导下吸附紧密高分子的相变有一定的参考价值.
The study presents the low temperature phase transition of compact chains with one end fixed based on the interacting selfavoiding walks (ISAWS) on the square lattice.The simulation is realized by transfer matrix (TM) method.During the tensile process
the average pulling force has an obviously oscillations at T0.1
and the oscillations vanishes with the temperature increasing.Since the compact chain has “frozen conformations” like βsheets
and when about half a layer has been opened
the average pulling force decreases obviously.The results agree well with the conclusions by Sanjay Kumar et al.The average pulling force
the average free energy and the phase transition for compact chains adsorbed on the neutral surface and the attractive surface are investigated respectively.During the initial tensile process
in order to overcome the adsorbed surface
the average pulling force has a peak value
and this phenomenon is also explained by the free energy.The adsorbed surface can make the available average pulling force decrease
so that the area of collapsed phase decreases.On the other hand
the average pulling force is also influenced by temperature.At the beginning
when the end-to-end distance x12
with the influence of excluded volume effects
the average pulling force decreases with the temperature.When endtoend distance 12≤x≤16
the average pulling force keeps a plateau of a constant force around 0.9 with different temperatures.But with the further extension of the compact chain
when the end-to-end distance x16
the average pulling force increases with the temperature.This result has already been found by Kumar et al.for the biopolymers without considering the attractive surface.With considering the influence of excluded volume effects
when the end-to-end distance x is less than the average size of the coil (without force)
the compact chain needs a compressing force instead of a pulling force
i.e. when T=1.0
the endtoend distance x=8
the pull-induced force is compressing force
and comparing with the average compressing forces of compact chains adsorbed on the neutral surface and the attractive surface
the adsorbed surface makes the available average compressing force decreases.These investigations may provide some insights into the phase transition in the forceinduced compact chains.
相互作用自回避行走(ISAWS)外力诱导相变
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