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通过ATR-FTIR和化学测量来预测降解解聚合的分子量特征

Luke A Riddell¹, Peter de Peinder^2,3, Viviana Polizzi⁴

¹Faculty of Science, Organic Chemistry & Catalysis, Institute for Sustainable and Circular Chemistry, Utrecht University institution, Utrecht 3584CG, The Netherlands.

ACS sustainable chemistry & engineering

|June 14, 2024

概括

红外 (IR) 光谱与化学测量相结合,提供了一种快速的方法来分析脱聚合性素 (DLs). 这种方法准确地预测了分子量 (MW) 参数,这对于优化素脱聚合过程至关重要.

科学领域:

生物质价值化生物质价值化
化学工程是化学工程的组成部分.
分析化学是一种分析化学.

背景情况:

素脱聚合的进步需要高效的分析方法.
分子重量 (MW) 对于评估脱聚合和优化条件至关重要.
传统的MW分析方法耗时且难以获得.

研究的目的:

扩展现有的ATR-IR化学测量方法,用于分析非聚合性素 (DLs).
通过绕过传统方法,快速描述DL的MW参数.
为了验证化学测量用于素生物油分析的使用.

主要方法:

减弱总反射红外 (ATR-IR) 光谱学.减弱总反射红外 (ATR-IR) 光谱学.
化学建模,包括部分最小平方 (PLS) 回归.
主要组件分析 (PCA) 和PLS差异分析 (PLS-DA) 用于生物质分类.

主要成果:

在ATR-IR化学测量方法准确地预测了57个DL样本的MW参数 (9.9-11.2%的误差).
PCA有效地将光谱特征与生物质来源 (硬木,草木,软木) 相关联.
即使在较低的MW中,素衍生样本也可接受化学分析.

结论:

与化学测量相结合的ATR-IR光谱学为DLMW表征提供了快速可靠的方法.
这种技术对于优化素脱聚合过程是有价值的.
这项研究表明了红外光谱在分析复杂的素衍生材料方面的潜力.

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