大型海藻生物质及其主要组分热解机理的实验与分子模拟研究

项目名称： 大型海藻生物质及其主要组分热解机理的实验与分子模拟研究

项目编号： No.51306078

项目类型： 青年科学基金项目

立项/批准年度： 2014

项目学科： 能源与动力工程

项目作者： 王爽

作者单位： 江苏大学

项目金额： 25万元

中文摘要： 当今世界各国对生物质能的开发和利用主要集中在陆上生物质，而对海藻这类潜力巨大的生物质研究较少，尤其对大型海藻热裂解机理更是缺乏深入、系统研究。本课题拟采用宏观实验研究与微观理论模拟、海藻个体与海藻组分相互结合、补充的研究方法，对大型海藻与海藻水溶性多糖分别进行热重实验与快速热裂解实验研究，使用多种测试手段（GC-MS、FTIR、HPLC）综合分析生物油的成分，获得过程参数对热解制油的影响规律；实验结果进一步结合分子动力学模拟计算方法分析海藻水溶性多糖分子的热裂解过程与机理，了解主要产物（包括CO、CO2、SO2）的形成途径。同时通过对比大型海藻与脱灰后海藻的微观结构、热解动力学特性、快速热裂解产油特征等方面，揭示灰分对海藻热解的影响机制，提出兼顾产油率与油品的最佳脱灰方案。期望通过本项目的开展，有助于进一步认识大型海藻及其主要组分的热解特性与机理，为提高海藻热解利用水平提供理论依据与指导。

中文关键词： 海藻；多糖；蛋白质；热解；分子模拟

英文摘要： The development and utilization of biomass energy are mainly concentrated in the land-based biomass all over the world. However few studies have been conducted to seaweed biomass that possesses a tremendous potential. Especially the pyrolysis mechanism of seaweed is the lack of systematic and in-depth research. Employing a combined approach of macroscopic experiments and microeconomic theory simulation, seaweed and seaweed components, this project undertakes a systematic study about the thermogravimetric experiments and fast pyrolysis experiments of seaweed and seaweed soluble polysaccharides, the analysis of bio-oil composition with a combination of test techniques (GC-MS、FTIR、HPLC), the influence of work parameters on the pyrolysis for bio-oil. The experiment results are combined with the molecular dynamics simulation method to analyze the pyrolysis processes and mechanism of seaweed soluble polysaccharide molecules and the formation pathways of major products (including CO, CO2, SO2). It is shown that the influence mechanism of ash on seaweed pyrolysis by comparing the microscopic structure, the pyrolysis dynamics characteristics, the bio-oil derived from pyrolysis and other aspects of seaweed with that of deash seaweed. Then the optimum deashing method that takes into account the bio-oil yield and quality

英文关键词： seaweed；polysaccharide；protein；pyrolysis；molecular simulation