有机相中固定化酶催化反应拆分手性化合物──间歇反应器内非定态动力学模拟  

Immobilized Enzymatic Resolution of Racemates in Organic Solvents—Reaction Kinetics in a Batch 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110020

出　　处：《化工冶金》2000年第3期241-247,共7页

基　　金：中国博士后科学基金

摘　　要：建立了有机相间歇反应器内球形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．采用正交配置法求解，讨论了对映体选择性E、内外传质阻力以及底物和水的抑制作用对酶促拆分手性化合物的拆分效果和速率的影响．结果表明：对映体选择性E是决定手性化合物能否拆分的关键参数；若一拆分过程对S－对映体优先反应，传质阻力可以忽略，E≥100，则R－和S－对映体几乎完全被拆分；如果存在传质阻力，则酶的对映体选择性降低，拆分效果不好，且拆分速率下降；底物和水的抑制作用对酶促拆分的效果影响不大，但拆分所需的时间相应增加．The kinetics of reaction on immobilized enzyme in spherical porous support coupled with theiotraparticle and external mass transfer was studied in a batch reactor for the resolution of racemates. Theorthogonal collocation method was used to simulate the reaction system. The effects of the enantiomeric ratioE, the intraparticle and external mass transfer resistances and the inhibition of the substrate and waer on theimmobilized euzymatic resolution were investigated. The results show that the enantiomeric ratio E is a keyparameter to determine the resolution process. Presumed that the reaction being faster for Senantiomer inthe immobilized enzymatic resolution process, the mass transfer resistances negligible and E100, nearly 50%of enantiopure product for S-enantiomer can be obtained while 50% enantiopure substrate R-enantiomer willremain at the end of the reaction. If there exists mass transfer resistance, the apparent enantioselectivity willbe lower than the intrinsic one, and the overall rate of resolution will be reduced. Some effect is observed forthe inhibition due to substrate and water on the efficiency of resolution, and the time of resolution increasesaccordingly

关 键 词：固定化酶 手性拆分 间歇反应器 动力学模拟 

分 类 号：TQ032[化学工程] TQ052