PDMAEMA71-b-PAA59 diblock polyampholyte was afforded by one-pot ATRP and the followed acidic hydrolysis. The critical micellization temperature (CMT) of this polyampholyte in basic medium (pH = 11) was determined as 37.5 ºC by turbidity measurements and 37-39 ºC by DLS characterizations, respectively.
二嵌段聚两性电解质PDMAEMA71-b-PAA59 可采用一锅法原子转移自由基聚合（ATRP）,随后进行酸水解合成.在碱性介质中（pH=11）,临界胶束化温度 (CMT) 以浊度法和DLS法测量结果分别是37.5ºC和37-39 ºC.
When ascending temperature, turbidity measurements confirmed the change of PDMAEMA71-b-PAA59 basic aqueous solution from transparent to milky, indicating the gradual change from molecularly dissolved unimer to the ultimate aggregation. DLS results showed the continual increase in the volume-average diameter (Dh) of the micelles from less than 15 nm to more than 640 nm.
浊度测量证明,随着温度升高,PDMAEMA71-b-PAA59碱性水溶液从透明变成乳状液,这表明分子水平溶解的单体逐步变成最终的聚合物.DLS测试结果则表明胶束的体积平均直径 (Dh)由小于15nm连续变化为超过640nm.
Based on the primitive model of A70B60, the molecular dynamic simulations at various temperatures showed that polyampholyte experiences a gradual conversion from unimer, to micellization, and until to a large-scale aggregation when the temperature increases from 0.1κT/ε to 0.6κT/ε, due to the balance between the favorable and unfavorable forces for unimers to gather in a large-scale.
依据A70B60为原始模型,在不同温度下以分子动力学模拟,结果表明：当温度从0.1κT/ε升高到0.6κT/ε,聚两性电解质经历了一个从单体到胶束再到大尺度聚合物逐步变化的过程,这种变化起因于单体聚合成大尺度过程中引力和斥力的平衡.
It is notable, however, that the higher temperature than 0.6κT/ε is not thermodynamically advantageous to form the larger aggregations because of the increased disorder.
然而值得注意的是,温度超过0.6κT/ε时,因无序度增大,对形成更大尺度的聚合物在热力学上是不利的.
In a word, both experimental and simulating results confirmed the temperature-induced micellization of PDMAEMA-b-PAA polyampholyte, whereas, the association of temperature in experiments and simulations calls for further efforts to be made.
总之,实验和模拟都证实了PDMAEMA-b-PAA 聚两性电解质胶束化过程的温度诱导效应.然而,实验和模拟中二者温度关系有待进一步研究.
Providing a conjunction between the temperature in experiment and the system temperature in simulation is constructed correctly, computer simulation, in fact, will become much more meaningful, because the simulation results will provide a more certain guidance for designing the polyampholyte with specific structure, and even the tunable parameters from the molecular-level, such as the CMT.
事实上,只要实验和模拟中的温度关系被正确构建,计算机模拟结果将有意义得多,这是由于模拟结果将为特定结构的聚两性电解质的设计提供更为明确的指导,甚至可以在分子水平上调控过程中的一些参数,例如CMT.
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