SCI和EI收录∣中国化工学会会刊

Chin.J.Chem.Eng. ›› 2018, Vol. 26 ›› Issue (4): 708-714.DOI: 10.1016/j.cjche.2017.09.002

• Separation Science and Engineering • Previous Articles     Next Articles

Equilibrium of liquid-liquid extraction of 2-phenylbutyric acid enantiomers: Experiment and model

Weifeng Xu, Guilin Dai, Kewen Tang, Panliang Zhang, Biquan Xiong, Yu Liu   

  1. Department of Chemistry and Chemical Engineering, Hunan Institute of Science and Technology, Yueyang 414006, China
  • Received:2017-01-17 Revised:2017-09-01 Online:2018-05-19 Published:2018-04-28
  • Contact: Kewen Tang,E-mail addresses:tangkewen@sina.com;Panliang Zhang,E-mail addresses:qpanny@163.com
  • Supported by:

    Supported by the National Basic Research Program of China (2014CB260407).

Equilibrium of liquid-liquid extraction of 2-phenylbutyric acid enantiomers: Experiment and model

Weifeng Xu, Guilin Dai, Kewen Tang, Panliang Zhang, Biquan Xiong, Yu Liu   

  1. Department of Chemistry and Chemical Engineering, Hunan Institute of Science and Technology, Yueyang 414006, China
  • 通讯作者: Kewen Tang,E-mail addresses:tangkewen@sina.com;Panliang Zhang,E-mail addresses:qpanny@163.com
  • 基金资助:

    Supported by the National Basic Research Program of China (2014CB260407).

Abstract: The utilization of liquid-liquid extraction for the separation of 2-phenylbutyric acid (2-PBA) enantiomers was proposed. Factors affecting the extract process were investigated, including organic solvents, β-cyclodextrin derivatives, cyclodextrin concentration, pH and temperature. A model was proposed to describe the separation process based on the homogeneous phase reaction mechanism. Important parameters of this model were determined experimentally. The physical distribution coefficients for molecular and ionic 2-PBA were 0.129 and 7.455, respectively. The equilibrium constants of the complexation reactions were 89.36 and 36.78 L·mol-1 for (+)-and (-)-2-PBA, respectively. The model was verified by experiments and proved to be an excellent means to optimize the separation system. Through modeling prediction and experiment, the best conditions (e.g., pH value of 3.00, extractant concentration of 0.1 mol·L-1, temperature of 5.0℃) were acquired. Under this condition, the maximum enantioselectivity (2.096) was obtained.

Key words: Model, Simulation, Enantioselective extraction, 2-Phenylbutyric acid, Hydrophilic selector

摘要: The utilization of liquid-liquid extraction for the separation of 2-phenylbutyric acid (2-PBA) enantiomers was proposed. Factors affecting the extract process were investigated, including organic solvents, β-cyclodextrin derivatives, cyclodextrin concentration, pH and temperature. A model was proposed to describe the separation process based on the homogeneous phase reaction mechanism. Important parameters of this model were determined experimentally. The physical distribution coefficients for molecular and ionic 2-PBA were 0.129 and 7.455, respectively. The equilibrium constants of the complexation reactions were 89.36 and 36.78 L·mol-1 for (+)-and (-)-2-PBA, respectively. The model was verified by experiments and proved to be an excellent means to optimize the separation system. Through modeling prediction and experiment, the best conditions (e.g., pH value of 3.00, extractant concentration of 0.1 mol·L-1, temperature of 5.0℃) were acquired. Under this condition, the maximum enantioselectivity (2.096) was obtained.

关键词: Model, Simulation, Enantioselective extraction, 2-Phenylbutyric acid, Hydrophilic selector