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高温热解生物质焦含氧结构演变规律研究

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为更高效清洁的利用生物质能,提高生物质热化学利用效率.使用13NMR、FTIR与量子化学计算相结合的方法从微观尺度分析了高温稻壳焦和秸秆焦的结构演化规律.实验结果表明:高温下生物质焦含氧结构演变趋于同一性.芳香边界取代处的氧含量随温度升高而下降,羧基含量略有升高,其余结构形式的氧几乎不变.设计并计算了氧接芳香族结构与热解系统中游离基团的可能反应转化路径.与游离碳相结合形成新的羧基位于芳香边界是最可能发生的,反应释放能量 68.11 kJ/mol.
Study on the Evolution of Oxygen-containing Structures in High-temperature Pyrolysis of Biomass Char
To achieve more efficient and cleaner biomass energy utilization,enhancing the thermochemical efficiency of biomass is crucial.This study utilizes a combined approach involving 13NMR,FTIR,and quantum chemical calculations to analyze the structural evolution of high-temperature rice husk char and straw char at the microscopic level.Experimental results indicate a uniform evolution of oxygen-contai-ning structures in biomass char at high temperatures.The oxygen content at aromatic boundary substitu-tion sites decreases with increasing temperature,while the carboxyl group content slightly increases and the oxygen content in other structural forms remains almost unchanged.The reaction pathways for possible transformations between oxygen and aromatic structures and free radicals in the pyrolysis system are de-signed and calculated.The most likely occurrence is forming a new carboxyl group at the aromatic bound-ary,combined with free carbon,releasing an energy of 68.11 kJ/mol.

high-temperature pyrolysisbiomass charmicroscaleoxygen-containingDFT

邹旬、刘冠男、王同尧、郭利、张玉、翟明

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哈尔滨工业大学能源科学与工程学院,黑龙江 哈尔滨 150001

高温热解 生物质焦 微观尺度 含氧结构 密度泛函理论

国家自然科学基金资助项目

51976049

2024

节能技术
国防科技工业节能技术服务中心

节能技术

CSTPCD
影响因子:0.601
ISSN:1002-6339
年,卷(期):2024.42(3)