摘要
针对熔融结晶技术分离锂电池电解液添加剂存在缺少基础理论数据的问题,本文采用差示扫描量热法(DSC),测定了氟代碳酸乙烯酯(FEC)-碳酸亚乙烯酯(VC)二元固液平衡数据,实验数据表明该二元物系为低共熔型物系。在此基础上采用活度系数法进行分析计算,得到了二元体系活度系数数据。借助AspenPlus流程模拟软件的数据回归功能,使用vanlaar、NRTL、Redlich-Kister模型对固液平衡数据进行回归,得到了各模型的回归参数。根据模型计算二元固液平衡数据,并绘制出相应的低共熔型二元固液相图。对各模型回归结果进行对比,结果显示vanlaar模型回归结果偏差较大,Redlich-Kister模型回归所得结果与实验数据较为相符,其平衡温度标准差小于0.005、平均偏差小于1.0K。为FEC-VC的结晶分离技术提供了固液平衡数据和热力学参数。
The solid-liquid equilibrium data for binary mixtures of fluoroethylene carbonate-vinylene carbonate(FEC-VC)were determined by differential scanning calorimetry(DSC)for the lack of basic theoretical data in separation of lithium battery electrolyte additive by melt crystallization.The experimental data showed that the binary system presented a lowest eutectic point.On this basis,the activity coefficient data of binary system were calculated by activity coefficient method.With the data regression function of Aspen Plus process simulation software,the solid-liquid equilibrium data of the binary system were regressed using van laar,NRTL and Redlich-Kister models,and the regression parameters of each model were obtained.The binary solid-liquid equilibrium data were calculated by the models and the lowest eutectic type solid-liquid phase diagrams were plotted.The comparison of regression results of each model indicated that the deviation of van laar model was large,and the regression results of Redlich-Kister model were more in line with the experimental data with a standard deviation of equilibrium temperature of less than 0.005 and an average deviation of less than 1.0K.The solid-liquid equilibrium data and thermodynamics parameters were provided for the crystallization separation technology of FEC-VC system.
作者
向瑞
艾波
吴高胜
李瑜哲
宗睿
许保云
杜丽君
XIANG Rui;AI Bo;WU Gaosheng;LI Yuzhe;ZONG Rui;XU Baoyun;DU Lijun(Shanghai Research Institute of Chemical Industry Co.,Ltd.,Shanghai 200063,China;Shanghai Huayi 3F New Materials Co.,Ltd.,Shanghai 200025,China)
出处
《化工进展》
EI
CAS
CSCD
北大核心
2024年第8期4246-4252,共7页
Chemical Industry and Engineering Progress
基金
上海市2021年度“科技创新行动项目”(21XD1432300)。
关键词
氟代碳酸乙烯酯
结晶
热力学
相平衡
活度系数
回归
fluoroethylene carbonate
crystallization
thermodynamics
phase equilibria
activity coefficient
regression
