Simulation of Cefoselis hydrochloride adsorption on macroporous resin in a fixed-bed column using orthogonal collocation

doi:10.1016/j.cjche.2017.12.001

摘要/Abstract

摘要： Adsorption operation is of great importance for separation and purification of semi-synthetic cephalosporin compounds in pharmaceutical industry. The adsorption dynamics of Cefoselis hydrochloride (CFH) on XR 920C adsorbent in fixed bed was predicted by the model of modified film-pore diffusion (MFPD). The intraparticle diffusion equation and mass balance equation in fixed bed are discretized into two ordinary differential equations (ODEs) using the method of orthogonal collocation which largely improves the calculation accuracy. The MFPD model parameters including the pore diffusion coefficient (D_p), external mass-transfer coefficient (k_f), and the axial dispersion (D_L) were estimated. The k_f value was calculated by the Carberry equation, in which the effective diffusion coefficient D_e was fitted based on Crank Model through experimental data. Moreover, three key operating parameters (i.e., initial adsorbate concentration; flow rate of import feed, and bed height of adsorbent) and the corresponded breakthrough curves were systematically studied and optimized. Therefore, this research not only provides valuable experimental data, but also a successfully mathematical model for designing the continuous chromatographic adsorption process of CFH.

关键词: Cefoselis hydrochloride, Breakthrough curve, Orthogonal collocation, Macroporous resin, Fixed bed, Simulation

Abstract: Adsorption operation is of great importance for separation and purification of semi-synthetic cephalosporin compounds in pharmaceutical industry. The adsorption dynamics of Cefoselis hydrochloride (CFH) on XR 920C adsorbent in fixed bed was predicted by the model of modified film-pore diffusion (MFPD). The intraparticle diffusion equation and mass balance equation in fixed bed are discretized into two ordinary differential equations (ODEs) using the method of orthogonal collocation which largely improves the calculation accuracy. The MFPD model parameters including the pore diffusion coefficient (D_p), external mass-transfer coefficient (k_f), and the axial dispersion (D_L) were estimated. The k_f value was calculated by the Carberry equation, in which the effective diffusion coefficient D_e was fitted based on Crank Model through experimental data. Moreover, three key operating parameters (i.e., initial adsorbate concentration; flow rate of import feed, and bed height of adsorbent) and the corresponded breakthrough curves were systematically studied and optimized. Therefore, this research not only provides valuable experimental data, but also a successfully mathematical model for designing the continuous chromatographic adsorption process of CFH.

Key words: Cefoselis hydrochloride, Breakthrough curve, Orthogonal collocation, Macroporous resin, Fixed bed, Simulation

Feng Xue, Fugang Wang, Shuai Chen, Sheng Wang, Shengui Ju, Weihong Xing. Simulation of Cefoselis hydrochloride adsorption on macroporous resin in a fixed-bed column using orthogonal collocation[J]. Chinese Journal of Chemical Engineering, 2018, 26(9): 1822-1828.

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