废水生物处理反应器的光谱定量分析方法研究
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摘要
在废水生物处理器中,反应器的运行状态与微生物代谢产物有着密切的联系。因此为了解反应器的运行状况,常需对反应器的出水及微生物胞内胞外代谢产物进行快速定量测定。由于废水生物处理反应器中复杂的样品环境,传统的化学分析方法操作费时、不易在线,不能满足反应器实时监测的需要。光谱法具有简便快速、不消耗试剂、能在线原位测定等优点,是具有应用前景的生物反应器监控方法。
本文引入共振光散射法、近红外光谱法以及中红外光谱法,并结合相关的化学计量学方法,分别对反应器出水的成分、微生物胞外多聚物以及胞内储存物质的含量进行定量分析测定,建立了废水生物处理反应器的系统快速分析测定方法,可为反应器的运行状况实时监控提供一定的技术支持。本文的主要研究结果如下:
1.在一定条件下,染料与生物大分子发生结合,生成的结合体可使染料的共振光散射强度增强,增加的强度与生物大分子浓度成正比,因而可以用于定量测定生物大分子含量。本文分别采用刚果红和中性红两种染料探针,建立了快速测定废水生物处理反应器出水中蛋白质和多糖成分的浓度的共振光散射分析方法。该方法对实际样品的测试结果,与传统比色法保持一致;
2.通过近红外光谱法对废水厌氧发酵过程的底物和产物进行了监测分析,测定发酵不同阶段的上清液近红外光谱,采用正交信号校正方法对光谱数据进行了预处理,建立了厌氧发酵过程中蔗糖和挥发性脂肪酸浓度的定量校正模型,可对厌氧发酵过程中蔗糖以及挥发性脂肪酸各组分浓度的变化进行快速准确监测。
3.通过测定厌氧产氢反应器出水的近红外光谱,建立了其中乙醇和挥发性脂肪酸的浓度的定量测定方法。首先采用数值一阶求导对产氢厌氧反应器出水的光谱数据进行预处理,消除了背景和噪声的影响,进而结合正交信号校正算法对出水中的乙醇和VFA类物质含量进行了建模预测,用于快速监测厌氧产氢反应器出水中乙醇和挥发性脂肪酸的浓度。
4.采用近红外光谱方法,结合连续小波变换滤算法去除了近红外光谱中的噪声信息,并采用间隔偏最小二乘法建立了好氧序批式反应器中底物浓度预测模型。连续小波变化进行预处理后,光谱曲线变得更为光滑,同时模型的预测精度也有所提高,而且模型也相对简单。改进后的间隔偏最小二乘筛选法有效地减少了建模所用的变量数,而且有效地提高了模型的预测精度。试验结果证明了近红外光谱可以有效的监测好氧反应器中底物浓度。
5.建立了快速定量测定活性污泥中胞内储存物质聚β-羟基丁酸酯(PHB)含量的中红外光谱法。以蛋白质的特征吸收峰作为内标,分别采用了PHB中红外特征峰1726 cm~(-1)与蛋白质酰胺Ⅰ峰1654 cm~(-1)的吸光度比值法,以及采用PLS算法对进行归一化处理之后的中红外光谱进行多元回归建模预测两种方法,测定了活性污泥中PHB的含量,测试结果和常规气相色谱法的测定结果保持一致。
6.建立了近红外光谱法快速测定废水生物处理反应器中溶解性微生物产物及污泥胞外聚合物中主要成分的定量分析方法。首先对样品的近红外光谱进行净信号提取,并基于多模型共识的基本思想,建立了一种用于近红外光谱建模的多模型共识的偏最小二乘支持向量回归cLSSVR算法,与传统的建模方法相比,所建立的模型更加稳定、可靠,预测结果也得到了明显改善。
The biological reactor for wastewater treatment is a complex system because of the presence of various types of pollutants and microorganisms.Conventional chemical analytical methods can not to fulfil the requirement of real-time monitoring of bioreactors.However,spectral analysis technique,as a rapid,simple,non-invasive and reagent-free method,is recognized as one of the promising methods for on-line monitoring bioreactors.
In this thesis the utilization of three spectral analysis methods for the determination of the components in bioreactor effluents,extracellular polymeric substances(EPS) and the poly(β-hydroxybutyrate)(PHB) inside activated sludge have been proposed.The three methods included the resonance light scattering(RLS), the near-infrared spectroscopy and the mid-infrared spectroscopy.Chemometric methods were also used for the data analysis.The main contents and results of this work are as follows:
1.The RLS method is based on the interactions between biomacromolecules and dyes,which cause a substantial increase in the resonance scattering signal of dyes. Two dyes,Congo red and Neutral red,were respectively used as the RLS probes for determining proteins and carbohydrates in the bioreactor effluents.Compared with the conventional colorimetric methods,the proposed methods were satisfactory applied to the measurement of proteins and carbohydrates in the effluents from ten bioreactors for wastewater treatments,and high sensitivitiese were also achieved.Results imply that the RLS method is a sensitive,selective method for the monitoring the quality of effluents from bioreactors.
2.Fourier transform near-infrared(FT-NIR) technique was used for monitoring anaerobic fermentative reactors.Orthogonal signal correction(OSC) method was employed as NIR spectral preprocessing options.Calibration models were established and the validation of the method was performed with the sucrose,ethanol and volatile fatty acids(VFAs) contents determined by the anthrone and gas chromatography methods,respectively.Spectral range and the number of internal latent variables were optimized for the best correlation coefficient.The results show that the NIR spectroscopy technique was able to rapidly quantify the contents of both VFAs and sucrose in the anaerobic reactors.
3.A quantifying method for measuring the concentrations of VFAs and ethanol in the effluent of an anaerobic H_2-producing bioreactor was proposed and validated using the FT-NIR spectroscopy.The first-derivative spectra calculated by a simple numerical difference,combined with the orthogonal signal correction method,were used as spectral preprocessing options.A calibration model was established and validated using gas chromatography measurement results.The number of internal latent variables was optimized based on the lowest root-mean-square error of calibration.The calibration model established shows the satisfactory results for the lowest root-mean-square errors of prediction compared to other preprocess methods. The method developed in this work was demonstrated to be more flexible,compared with other approaches to determine the effluents VFA and ethanol concentrations.
4.The FT-NIR spectroscopy was also used for the determination of the substrate concentration and chemical oxygen demand(COD) in an aerobic bioreactor. The continuous wavelet transform method was used for reducing the influence of background and noise in NIR spectra.The internal partial least square method was then used for optimizing the spectra range and establishing the calibration model of substrate concentration and COD.The spectra ware smoothed and the latent variables of the calibration model were reduced for better prediction results with the integrated method.The NIR method could be used as a new analytical means in the determing substrate concentration and COD of aerobic bioreactors.
5.Fourier transform infrared(FTIR) spectroscopy in combination with two data processing methods was used for quantitative analysis of the PHB contents of activated sludge.Because of the slight variation of protein content in cells compared with the variation of PHB content,the ratio of the PHB special absorbances in 1726 cm~(-1) to protein special absorbances 1654 cm~(-1) was calculated to establish the calibration curve of the PHB content.In another try the partial least squares(PLS) multivariative statistical technique was used for a quantitative analysis of sludge IR spectra.The results of both methods matched those of the gas chromatography method.For the FTIR technique,there are no solvent requirements,sample preparation is minimal and simple,and analysis time is greatly reduced.The results demonstrate the potential of FTIR spectroscopy as an alternative to the conventional methods used for analysis of PHB in activated sludge.
6.An integrated method of the consensus least squares support vector regression combined net analysis signal was used for analyzing the NIR spectra data of the soluble microbial products(SMP) and EPS of sludge samples.The calibration models of measing the protein,carbohydrate and humic acid contents in the sludge samples were established.The prediction results of the calibration models were satisfied.The method developed in this work was demonstrated to be more flexible than other approaches.
本文引入共振光散射法、近红外光谱法以及中红外光谱法,并结合相关的化学计量学方法,分别对反应器出水的成分、微生物胞外多聚物以及胞内储存物质的含量进行定量分析测定,建立了废水生物处理反应器的系统快速分析测定方法,可为反应器的运行状况实时监控提供一定的技术支持。本文的主要研究结果如下:
1.在一定条件下,染料与生物大分子发生结合,生成的结合体可使染料的共振光散射强度增强,增加的强度与生物大分子浓度成正比,因而可以用于定量测定生物大分子含量。本文分别采用刚果红和中性红两种染料探针,建立了快速测定废水生物处理反应器出水中蛋白质和多糖成分的浓度的共振光散射分析方法。该方法对实际样品的测试结果,与传统比色法保持一致;
2.通过近红外光谱法对废水厌氧发酵过程的底物和产物进行了监测分析,测定发酵不同阶段的上清液近红外光谱,采用正交信号校正方法对光谱数据进行了预处理,建立了厌氧发酵过程中蔗糖和挥发性脂肪酸浓度的定量校正模型,可对厌氧发酵过程中蔗糖以及挥发性脂肪酸各组分浓度的变化进行快速准确监测。
3.通过测定厌氧产氢反应器出水的近红外光谱,建立了其中乙醇和挥发性脂肪酸的浓度的定量测定方法。首先采用数值一阶求导对产氢厌氧反应器出水的光谱数据进行预处理,消除了背景和噪声的影响,进而结合正交信号校正算法对出水中的乙醇和VFA类物质含量进行了建模预测,用于快速监测厌氧产氢反应器出水中乙醇和挥发性脂肪酸的浓度。
4.采用近红外光谱方法,结合连续小波变换滤算法去除了近红外光谱中的噪声信息,并采用间隔偏最小二乘法建立了好氧序批式反应器中底物浓度预测模型。连续小波变化进行预处理后,光谱曲线变得更为光滑,同时模型的预测精度也有所提高,而且模型也相对简单。改进后的间隔偏最小二乘筛选法有效地减少了建模所用的变量数,而且有效地提高了模型的预测精度。试验结果证明了近红外光谱可以有效的监测好氧反应器中底物浓度。
5.建立了快速定量测定活性污泥中胞内储存物质聚β-羟基丁酸酯(PHB)含量的中红外光谱法。以蛋白质的特征吸收峰作为内标,分别采用了PHB中红外特征峰1726 cm~(-1)与蛋白质酰胺Ⅰ峰1654 cm~(-1)的吸光度比值法,以及采用PLS算法对进行归一化处理之后的中红外光谱进行多元回归建模预测两种方法,测定了活性污泥中PHB的含量,测试结果和常规气相色谱法的测定结果保持一致。
6.建立了近红外光谱法快速测定废水生物处理反应器中溶解性微生物产物及污泥胞外聚合物中主要成分的定量分析方法。首先对样品的近红外光谱进行净信号提取,并基于多模型共识的基本思想,建立了一种用于近红外光谱建模的多模型共识的偏最小二乘支持向量回归cLSSVR算法,与传统的建模方法相比,所建立的模型更加稳定、可靠,预测结果也得到了明显改善。
The biological reactor for wastewater treatment is a complex system because of the presence of various types of pollutants and microorganisms.Conventional chemical analytical methods can not to fulfil the requirement of real-time monitoring of bioreactors.However,spectral analysis technique,as a rapid,simple,non-invasive and reagent-free method,is recognized as one of the promising methods for on-line monitoring bioreactors.
In this thesis the utilization of three spectral analysis methods for the determination of the components in bioreactor effluents,extracellular polymeric substances(EPS) and the poly(β-hydroxybutyrate)(PHB) inside activated sludge have been proposed.The three methods included the resonance light scattering(RLS), the near-infrared spectroscopy and the mid-infrared spectroscopy.Chemometric methods were also used for the data analysis.The main contents and results of this work are as follows:
1.The RLS method is based on the interactions between biomacromolecules and dyes,which cause a substantial increase in the resonance scattering signal of dyes. Two dyes,Congo red and Neutral red,were respectively used as the RLS probes for determining proteins and carbohydrates in the bioreactor effluents.Compared with the conventional colorimetric methods,the proposed methods were satisfactory applied to the measurement of proteins and carbohydrates in the effluents from ten bioreactors for wastewater treatments,and high sensitivitiese were also achieved.Results imply that the RLS method is a sensitive,selective method for the monitoring the quality of effluents from bioreactors.
2.Fourier transform near-infrared(FT-NIR) technique was used for monitoring anaerobic fermentative reactors.Orthogonal signal correction(OSC) method was employed as NIR spectral preprocessing options.Calibration models were established and the validation of the method was performed with the sucrose,ethanol and volatile fatty acids(VFAs) contents determined by the anthrone and gas chromatography methods,respectively.Spectral range and the number of internal latent variables were optimized for the best correlation coefficient.The results show that the NIR spectroscopy technique was able to rapidly quantify the contents of both VFAs and sucrose in the anaerobic reactors.
3.A quantifying method for measuring the concentrations of VFAs and ethanol in the effluent of an anaerobic H_2-producing bioreactor was proposed and validated using the FT-NIR spectroscopy.The first-derivative spectra calculated by a simple numerical difference,combined with the orthogonal signal correction method,were used as spectral preprocessing options.A calibration model was established and validated using gas chromatography measurement results.The number of internal latent variables was optimized based on the lowest root-mean-square error of calibration.The calibration model established shows the satisfactory results for the lowest root-mean-square errors of prediction compared to other preprocess methods. The method developed in this work was demonstrated to be more flexible,compared with other approaches to determine the effluents VFA and ethanol concentrations.
4.The FT-NIR spectroscopy was also used for the determination of the substrate concentration and chemical oxygen demand(COD) in an aerobic bioreactor. The continuous wavelet transform method was used for reducing the influence of background and noise in NIR spectra.The internal partial least square method was then used for optimizing the spectra range and establishing the calibration model of substrate concentration and COD.The spectra ware smoothed and the latent variables of the calibration model were reduced for better prediction results with the integrated method.The NIR method could be used as a new analytical means in the determing substrate concentration and COD of aerobic bioreactors.
5.Fourier transform infrared(FTIR) spectroscopy in combination with two data processing methods was used for quantitative analysis of the PHB contents of activated sludge.Because of the slight variation of protein content in cells compared with the variation of PHB content,the ratio of the PHB special absorbances in 1726 cm~(-1) to protein special absorbances 1654 cm~(-1) was calculated to establish the calibration curve of the PHB content.In another try the partial least squares(PLS) multivariative statistical technique was used for a quantitative analysis of sludge IR spectra.The results of both methods matched those of the gas chromatography method.For the FTIR technique,there are no solvent requirements,sample preparation is minimal and simple,and analysis time is greatly reduced.The results demonstrate the potential of FTIR spectroscopy as an alternative to the conventional methods used for analysis of PHB in activated sludge.
6.An integrated method of the consensus least squares support vector regression combined net analysis signal was used for analyzing the NIR spectra data of the soluble microbial products(SMP) and EPS of sludge samples.The calibration models of measing the protein,carbohydrate and humic acid contents in the sludge samples were established.The prediction results of the calibration models were satisfied.The method developed in this work was demonstrated to be more flexible than other approaches.
引文
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