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本文采用改进的遗传算法设计了醋酸甲酯-甲醇体系萃取精馏萃取剂,根据体系特征选取特定基团,采用子基团号直接替代基团的编码方案,设计出的分子以数字形式体现,简化传统遗传算法编码方式,提高算法运行效率。对操作算子中的选择算子,交叉算子进行了改进,避免了遗传算法自身缺陷。为了全面评价采用改进遗传算法设计的醋酸甲酯-甲醇体系萃取精馏萃取剂,本文建立了模糊综合评价的优化筛选方法,从选择性,溶解度,热容,粘度,相对分子量,沸点及毒性等方面对设计出的萃取剂进行综合评判,使评价结果更加可靠。设计结果表明:采用该设计方法设计的萃取剂如水,二甲亚砜,丙三醇和乙二醇等与工业生产上使用的萃取剂具有很好的一致性。且设计出的萃取剂水和丙三醇相对挥发度的预测值与文献报道值相对偏差分别为0.71%和6.35%。醋酸甲酯-甲醇体系萃取剂设计过程主要考虑分离效果方面的性能,在化工生产中还需要考虑萃取剂的可操作性和经济成本,对设计结果中的典型分子,采用模糊综合评价的方法对其进行优劣判断。筛选评价结果显示从醋酸甲酯-甲醇体系萃取精馏分离效果、可操作性和经济性综合考虑,水,二甲亚砜,丙三醇,乙二醇及十一烷是效果较好的萃取剂。设计和筛选结果表明本文研究方法具有较好的可靠性和应用价值。
In this paper, a modified genetic algorithm was used to design the extractant of methyl acetate-methanol extractant. According to the characteristics of the system, a specific group was selected. The encoding scheme of substituting groups with subgroups was directly adopted. The designed molecules were expressed in digital form, Simplify the traditional genetic algorithm coding, improve the efficiency of the algorithm. The selection operator and the crossover operator in operation operator are improved, which avoids the self-defect of genetic algorithm. In order to comprehensively evaluate the extractive extractant of methyl acetate-methanol system designed by the improved genetic algorithm, this paper established an optimized screening method of fuzzy comprehensive evaluation, which includes selection, solubility, heat capacity, viscosity, relative molecular weight, boiling point and toxicity Aspects of the design of the extractant comprehensive evaluation, the evaluation results more reliable. The design results show that the designed extractants such as water, dimethylsulfoxide, glycerol and ethylene glycol are in good agreement with those used in industrial production. The relative deviations of the relative volatility of extracted water and glycerol from the reported values were 0.71% and 6.35%, respectively. The design process of methyl acetate-methanol system extractant mainly considers the performance in separation effect. In chemical production, the operability and economic cost of extractant also need to be considered. For the typical molecules in the design results, the method of fuzzy comprehensive evaluation The judge of its advantages and disadvantages. Screening evaluation results show that from the methyl acetate - methanol extraction distillation separation effect, operability and economy into account, water, dimethyl sulfoxide, glycerol, ethylene glycol and undecane is the better extract Agent. The design and screening results show that the research method in this paper has good reliability and application value.