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首页> 外文期刊>Iranian polymer journal >Application of genetic algorithm in calculation of the phase behavior of binary and ternary polymer solutions
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Application of genetic algorithm in calculation of the phase behavior of binary and ternary polymer solutions

机译：遗传算法在二元和三元聚合物溶液相行为计算中的应用

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A genetic algorithm as an optimization procedure has been developed to predict the phase behavior of polymer solutions. The phase equilibrium diagrams of binary and ternary polymer solutions have been determined using the appropriate form of Flory-Huggins free-energy function for polymer solutions. A concentration and temperature dependent form of the interaction parameter has been used to reflect the effect of temperature and polymer properties in the free-energy form. The proposed genetic algorithm is applied to compare the phase behavior results of some typical polymer solutions with the results of the classical determination methods and then applied to some conventional ternary polymer solutions as polymer-sol-vent-nonsolvent systems. The proposed algorithm use a set of individual states as the initial chromosomes and uses the general rules as crossover, mutation, and with use of a fractional objective function determines the binodal points or the phase diagram boundaries of polymer solutions. The properties of an industrially relevant polymer solution, a polystyrene-cyclohexane solution, have been used to emphasize on the industrial application of the proposed algorithm. The algorithm has been used to predict the phase behavior of the two polymer-solvent-nonsolvent systems as polystyrene-butanone-methanol and poly-styrene-butanone-propanol at three different temperatures and results show good agreement with the experimental observations. The algorithm also has the capability to predict both the concentration-independent and concentration-dependent interaction parameters among the different components. The genetic algorithm is an easy-to-use, state-of-art, and very fast optimization tool, and has very strong capability to solve nonlinear systems in chemical and polymer engineering topics.
机译：已经开发了一种作为优化程序的遗传算法来预测聚合物溶液的相行为。二元和三元聚合物溶液的相平衡图已使用适用于聚合物溶液的Flory-Huggins自由能函数的适当形式确定。相互作用参数的浓度和温度依赖性形式已用于以自由能形式反映温度和聚合物性质的影响。提出的遗传算法被用于比较一些典型的聚合物溶液的相行为与经典的测定方法的结果，然后被应用于一些常规的三元聚合物溶液，如聚合物-溶剂-非溶剂体系。所提出的算法使用一组单独的状态作为初始染色体，并使用一般规则进行交叉，变异，并使用分数目标函数确定聚合物溶液的双斜点或相图边界。工业上相关的聚合物溶液（聚苯乙烯-环己烷溶液）的特性已被用于强调所提出算法的工业应用。该算法已被用于预测两种聚合物-溶剂-非溶剂系统的相行为，如聚苯乙烯-丁酮-甲醇和聚苯乙烯-丁酮-丙醇在三个不同的温度下，结果与实验结果吻合良好。该算法还具有预测不同组分之间浓度无关和浓度依赖性相互作用参数的能力。遗传算法是一种易于使用，最先进且非常快速的优化工具，在解决化学和聚合物工程主题中的非线性系统方面具有很强的能力。

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