拉曼光谱快速跟踪蔗糖水解过程组分含量及动力学研究

doi:10.3964/j.issn.1000-0593(2020)09-2821-05

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Abstract Online quantitative detection of the content of multivariate components is of great significance for most process analysis. However, in multivariate statistical methods, the spectral similarity and superposition of components will lead to an increase of multivariate statistical error, which is particularly prominent in systems with high similarity components. Chemometrics method based on subspace Angle conversion, calculate the system after the Raman spectral response spectrum noise smoothing, eliminate the differences after calculating the Angle of the pure spectra of the component under test values, a sample content object under test to the percentage, calculated Angle value and component content, the linear relationship between the Angle values of variance and modeling sample components content value relation model, which can realize real-time tracking of component content. Based on sucrose hydrolysis as analysis object, with the aim to the analysis of sucrose content, acquisition of sucrose, fructose, glucose mixture under different concentration ratio of Raman spectrum signal, the first to the second order derivative, eliminate the additive error after smoothing noise is transformed into space vector Angle to eliminate spectral differences between batches, move the window, set up to calculate the Dxi series Angle value of variance, this algorithm of Angle transformation, established the sucrose content and relevant model of spectral Angle value variance, correlation coefficient r of 0.997, model validation available relative error in 3.390%~7.333%, The prediction result of the model is good. Through the Raman spectra of different conditions of sucrose hydrolysis process monitoring, respectively to calculate the response spectra in the process of value variance D_b series Angle, to the model component content, then the reaction rate of different conditions is r, found that the reaction rate changes over the corresponding conditions, both close to the same proportion decreases, and verified the sucrose hydrolysis process is first order reaction, shows that the Raman spectroscopy combined with Angle conversion method can fast track component concentration of sucrose hydrolysis process. Using the data collected by this method, the reaction rate constant K₁ of sucrose hydrolysis at 26.5 ℃ was calculated as 0.031, and the reaction rate constant 0.031 5 was determined by the optical rotation method at the same temperature. The reaction rate constant K₂ at 40 ℃ was calculated to be 0.197 8, and the activation energy E_a=107.1 kJ·mol^-1 was obtained by substituting the Arrhenius equation, which was consistent with the literature value. The results show that the Raman spectrum combined with Angle conversion algorithm can be used to study the dynamics of sucrose hydrolysis process and provide an efficient and fast method for multi-component quantitative analysis.

Key words：Sucrose hydrolysis; Raman spectrum; Angle conversion; Process analysis; Dynamics

Received: 2019-09-12 Accepted: 2019-12-27

ZTFLH:

O657.37

Corresponding Authors: YAO Zhi-xiang E-mail: zxyao@gxust.edu.cn

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https://www.gpxygpfx.com/EN/10.3964/j.issn.1000-0593(2020)09-2821-05 OR https://www.gpxygpfx.com/EN/Y2020/V40/I09/2821