秸秆纤维素亚/超临界液化中平台化合物的5集总动力学研究

5-Lumps Kinetics of Platform Chemical Compounds from Cellulose Liquefaction in Sub-and Supercritical Ethanol

采用GC-MS分析玉米秸秆纤维素与亚/超临界乙醇液化产物,将产物划分酮类(KE)、酯类(ES)、醇类(AL)、液化残渣(RE)和其他(OT)五集总,初步探索反应网络,建立12条反应路径的5集总模型,运用遗传算法简化优化后得出计算结果和最佳条件。结果显示,反应级数n在0.1~1.2之间,指前因子A在1.23×10~7/h到1.78×10^(15)/h之间,活化能Ea在76.75~153.45 k J/mol。模拟结果与实验数据相吻合,证实该5集总模型是可靠的,用遗传算法计算动力学参数是可行的,为生物质转化为平台化合物提供基础数据。

As cornstalk cellulose was liquefied in sub-and supercritical ethanol and the products were determined by GC/MS analysis,the main products were divided into five lumps： ketones（ KE）,esters（ ES）,alcohols（ AL）,residues（ RE） and others（ OT）. The reaction network was explored preliminarily and the models of 12 reaction paths with 5-lumps were found. As the 5-lumps models proposed,with the help of genetic algorithm,the calculation and optimization were achieved. The results showed that reaction order n ranged between 0. 1 - 1. 2,pre-exponential factor A ranged between 1. 23 × 10-7/h and 1. 78 × 10-（15）/h,and activation energy Ea ranged between 76. 75 k J/mol and 153. 45 k J/mol. The simulation results matched well with the experimental data,which indicates that the model is credible and the method used to calculate kinetic parameters is practicable. The method provides the basic data of the biomass transform to platform chemical compounds.