Pluronic类化合物水溶液的介观动力学模拟

来源 :计算机与应用化学 | 被引量 : 0次 | 上传用户:tj_tong
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A new dynamic density functional method(Mesodynamics) has been used to simulate microphase separation kinetics of the aqueous solution of the triblock polymer surfactant (Ethylene Oxide)x (Propylene Oxide)y(Ethylene Oxide)x. The polymers are represented by relatively short strings of spheres which are the basic element in the simulation. This is a new 3-dimensional computer simulations of morphology formation in specific polymer solutions. Comparing to other equilbrium simulation methods, mesodynamics method gives the time evolutionary course of the microphase separation kinetics which can enhance the people’s comprehension of the mechanism of many industrial and biological processes.There are several factors contributing to the morphology formation including the temperature, the polymer concertration, the length ratio of the three blocks and etc. In this paper, we discuss these factors in detail and the dynamic evolution of the Pluronic water mixtures. A new dynamic density functional method (Mesodynamics) has been used to simulate microphase separation kinetics of the aqueous solution of the triblock polymer surfactant (Ethylene Oxide) x (Propylene Oxide) y (Ethylene Oxide) x. The polymers are represented by relatively short strings of spheres which are the basic element in the simulation. This is a new 3-dimensional computer simulations of morphology formation in specific polymer solutions. Comparing to other equilbrium simulation methods, mesodynamics method gives the time evolutionary course of the microphase separation kinetics which can enhance the people’s comprehension of the mechanism of many industrial and biological processes. Here are several factors contributing to the morphology formation including the temperature, the polymer concertration, the length ratio of the three blocks and etc. In this paper, we discuss these factors in detail and the dynamic evolution of the Pluronic water mixtures.
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