脂肪酶催化合成乳酸正丁酯过程中酯化率的预测模型

An Empirical Model for Predicting Conversion of the Synthesis of n-Butyl Lactate by Lipase-Catalyzed Esterification

摘要:

乳酸正丁酯是一种重要的绿色溶剂，广泛应用于食品和化妆品等行业。研究乳酸正丁酯的酶法合成工艺并对其合成过程变化趋势进行有效的监控，是实现高效生产合格产品的重要保证。本文介绍一种估算脂肪酶催化乳酸和正丁醇合成乳酸正丁酯过程中乳酸酯化率变化规律的预测模型。在选择适宜的底物摩尔比(正丁醇:乳酸=1.5:1)后，基于乳酸正丁酯的酶法合成过程的反应时间、反应温度和酶添加量的变化趋势，建立了乳酸酯化率的变化规律的预测模型，Er, % = 0.168×D0.018×(T-7.5) ×Ln(1+100t)，实验值与预测值两者相近程度的曲线拟合相关系数（R2）可达到0.995，结果表明，在本实验范围下，该模型可有效预测反应过程中乳酸酯化率的变化。本模型将为脂肪酶催化合成乳酸正丁酯的生产实践提供很好的指导。

Abstract:

Butyl lactate is an important green solvent, which was widely used in food and cosmetic industries. Enzymatic process for the synthesis of butyl lactate provides high-efficient manufacture. An empirical model for predicting conversion of the synthesis of n-butyl lactate by lipase-catalyzed esterification was proposed based on the relationships of reaction time, reaction temperature and lipase concentration in a given n-butyl alcohol/lactic acid molar ratio (1.5:1). The model of Er, % = 0.168×D0.018×(T-7.5) ×Ln(1+100t) was established, with a good correlation (R2 = 0.995) between the experimental data and predicting data. Such data would be valuable for the process control and optimization during the synthesis of n-butyl lactate.