利用Elman神经网络预测三元水盐体系相平衡溶解度  

Prediction of Equilibrium Solubilities of Ternary Water Salt Systems by Elman Neural Network

作　　者：孟宪泽 付云朋[1,2] 袁俊生 李斌[3] MENG Xian-Ze;FU Yun-Peng;YUAN Jun-Sheng;LI Bin(The Key Laboratory of Narine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, Qingdao 266100, China;College of Chemistry and Chemical Engineering, Ocean University of China, Qingdao 266100, China;College of Chemical Engineering, Hebei University of Technology, Tianjin 300130, China;College of Chemical Engineering and Material, Quanzhou Normal University, Quanzhou 362000, China)

机构地区：[1]中国海洋大学海洋化学理论与工程技术教育部重点实验室,山东青岛266100 [2]中国海洋大学化学化工学院,山东青岛266100 [3]河北工业大学化工学院,天津300130 [4]泉州师范学院化工与材料学院,福建泉州362000

出　　处：《中国海洋大学学报（自然科学版）》2020年第8期102-108,共7页Periodical of Ocean University of China

基　　金：国家科技支撑计划项目(2016YFB0600504)资助。

摘　　要：水盐体系相平衡的研究是高盐卤水资源化利用的理论指导。本文利用优化的Elman神经网络(ENN)对海水体系Na+,K+,Ca2+,Mg2+//Cl-,SO42-,CO32-,HCO3-,B4O72--H2O的15个三元子系统进行了研究。通过比较溶解度预测值与文献值,确定模型的最优拓扑结构为双隐含层,隐含层神经元拓扑结构为(2,3),学习函数选择动量自适应学习速率梯度下降法(GDX)。由NaCl-CaCl2-H2O体系液相线的预测结果可知,ENN-(2,3)GDX模型的拟合精确度和运算速度均优于热力学HMW模型。对未发表的四个三元体系液相线和共饱点进行了预测,结果能够较好地符合随温度变化趋势,其中,15.0℃下NaCl-KCl-H2O体系包含1个NaCl、KCl共饱点;87.5℃下Na2SO4-MgSO4-H2O体系包含3个共饱点,分别是:硫镁矾(M1)、钠镁钒(Low)共饱点,Low、无水钠镁钒(Van)共饱点和Van、Na2SO4共饱点;60.0℃下KCl-K2-SO4-H2O体系包含1个KCl、K2SO4共饱点;60.0℃下NaCl-Na2CO3-H2O体系包含1个NaCl、Na2CO3·H2O共饱点。Research on the water-salt system can guide the utilization process on high salinity water.In this paper,an optimized Elman neural network is used to compare the predicted solubility with literature,those are from the fifteen ternary subsystems of seawater system Na+,K+,Ca2+,Mg2+//Cl-,SO42-,CO32-,HCO3-,B4O72--H2O.The optimized topology consists with two hidden layers in which two neurons connect the first layer and three neurons connect the second layer.The adaptive gradient descent function(GDX)was selected as the learning function.The forecasting precision of ENN model is better than that of HMW model,by studying on the system of NaCl-KCl-H2O,whose MSE is the highest of all the ternary subsystems.The liquidus and saturation points of the four unpublished ternary systems were predicted,which can well conform to the the trend of temperature variation.In addition,the ternary system of NaCl-KCl-H2O at 15.0℃contains one saturation point of NaCl and KCl;the ternary system of Na2SO4-MgSO4-H2O at 87.5℃contains three saturation points,which are MgSO4·H2O(M1)and Na2SO3·MgSO4·2.5H2O(Low),Low and 3 Na2SO3·MgSO4(Van),Van and Na2SO4.The ternary system of KCl-K2SO4-H2O at 60.0℃contains one saturation point of KCl and K2SO4.The ternary system of NaCl-Na2CO3-H2O contains one saturation point of NaCl and Na2CO3·H2O.

关 键 词：ELMAN神经网络 液相线 水盐体系 相平衡 

分 类 号：O645.1[理学—物理化学]