有机相固定化酶催化反应拆分手性化合物——填充床反应器内非定态动力学模型  

Immobilized Enzymatic Resolution of Racemates in Organic Solvents——Reaction Kinetics in a Fixed-bed Reactor

作　　者：修国华[1] 刘会洲[1] 李平[2] 

机构地区：[1]中国科学院化工冶金研究所,北京100080 [2]沈阳化工学院化工系,辽宁沈阳110021

出　　处：《过程工程学报》2001年第3期243-248,共6页The Chinese Journal of Process Engineering

基　　金：中国博士后科学基金资助项目

摘　　要：建立了有机相填充床反应器内多孔载体固定化酶催化反应拆分手性化合物的非定态动力学模型，该模型考虑了内扩散、外膜传质和轴向弥散的影响. 对一级反应，针对球状、无限长圆柱和片状3种几何形状的载体推导出精确解. 对于复杂反应系统应用正交配置方法进行模拟. 讨论了传质阻力、底物和水的抑制作用对酶的对映体选择性和拆分效果的影响. 同时，对稳定的一级反应拆分系统，提出了新的估算酶的有效对映体选择性Eeff的公式.：A mathematical model was developed for immobilized enzyme catalyzed kinetic resolution of racemate in organic solvent in a fixed-bed reactor where the enzyme-catalyzed reaction was coupled with the intraparticle diffusion, external mass transfer and axial dispersion. For the first order reaction, an exact solution was derived from the mathematical model for slab-, cylindrical-, and spherical-catalyst particles. The orthogonal coll℃ation method was used to simulate the resolution pr℃ess for the complicated reaction system that the enzyme deactivation and the competitive inhibition by substrates and water were included. The effects of the mass transfer limitation, competitive inhibition by substrates and water and enzyme deactivation on the enzyme enantioselectivity and optical purity of the desired product were quantitatively discussed over a wide range of parameters. A new formulation is presented to evaluate the effects of mass transfer limitation on the effective enantioselectivity of enzyme for continuous steady-state kinetic resolution pr℃ess.

关 键 词：有机相 固定化酶 动力学拆分 传质阻力 固定床反应器 精确解 手性化合物 

分 类 号：O643.32[理学—物理化学] TQ051.14[理学—化学]