Modeling Phase Equilibria for the Glycine–NH4Cl–Methanol–Water System and Its Application for the Industrial Monochloroacetic Acid Process

Modeling Phase Equilibria for the Glycine–NH4Cl–Methanol–Water System and Its Application for the Industrial Monochloroacetic Acid Process
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甘氨酸-NH4Cl-甲醇水系统的相平衡模拟及其在工业一氯乙酸工艺中的应用

DOI:
10.1021/acs.iecr.5b00320
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发表时间:
2015-03
影响因子:
4.2
通讯作者:
Li Zhibao
Li Zhibao
中科院分区:
工程技术3区
文献类型:
--
作者:
Yan Zeng;Li Zhibao

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作为我们先前研究的继续,本工作集中于含有甘氨酸、氯化铵、甲醇和水的混合溶剂电解质体系的相平衡的测定和模拟。该电解液用于生产甘氨酸的一氯乙酸(MCA)工艺。在283.15~323.15 K范围内测定了NH_4Cl-甲醇-水和甘氨酸-NH_4Cl-甲醇-水体系的溶解度。通过调整UNIQUAC和中程相互作用参数,通过回归实验数据对嵌入OLI平台的MSE模型进行了修正。用新的模型参数对四元体系的溶解度进行了预测,预测结果与实验数据吻合较好。甘氨酸和氯化铵的溶解度预测值与实验值的平均绝对偏差分别为3.46和0.54%。用OLi Stream Analyzer 9.1软件考察了甲醇组成和温度对甘氨酸结晶产率的影响。
As a continuation of our previous study, this work focuses on the determination and modeling of phase equilibria for the mixed-solvent electrolyte system containing glycine, ammonium chloride (NH4Cl), methanol, and water. This electrolyte is used in the monochloroacetic acid (MCA) process for glycine production. The solubilities for the NH4Cl–methanol–water and glycine–NH4Cl–methanol–water systems were determined from 283.15 to 323.15 K. The MSE model embedded in the OLI platform was modified by regressing experimental data through adjustment of the UNIQUAC and the middle-range interaction parameters. With the new model parameters, solubilities in the quaternary system were predicted with excellent agreement. The average absolute deviations between the prediction and the experimental solubility are 3.46 and 0.54% for glycine and NH4Cl, respectively. OLI Stream Analyzer 9.1 was used with this new MSE model to investigate the effect of the methanol composition and temperature on the yield of glycine crystal...
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