[C4mim]Br/K3C6H5O7双水相体系相平衡的模拟计算
Modeling the Phase Equilibrium of Aqueous Two-Phase System Formed by [C4mim]Br/K3C6H5O7
Modeling the Phase Equilibrium of Aqueous Two-Phase System Formed by [C4mim]Br/K3C6H5O7
Modeling the Phase Equilibrium of Aqueous Two-Phase System Formed by [C4mim]Br/K3C6H5O7
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摘要: 基于[C4mim]Br/ K3C6H5O7离子液体双水相体系相平衡的特征,提出了“子网络”的概念和“实验数据放大适当倍数”的策略,将体系在278.15 K、298.15 K和 318.15 K温度下的相平衡数据分为训练和检验样本,建立了相应的神经网络数据模型.模型对实验测量的依赖性较低,且计算精度优于文献中的Setschenow-type方程,有助于更好地了解该体系的相行为Abstract: The concept of subnetwork and the strategy to magnify experiment data with an appropriate multiple were proposed based on the characteristic of the phase equilibrium data of the aqueous two-phase system formed by [C4mim]Br/K3C6H5O7. Then the neural network model was established by dividing the collected data at 278.15 K, 298.15 K and 318.15 K into training and validation samples. The suggested model was slightly dependent on experiment and outperformed the Setschenow-type equation in terms of calculation accuracy