使用吸收率和单束可见光谱对兰坦化物进行PCA和PLS分析
Hope E Lackey1,2, Gilbert L Nelson3, Heather M Felmy1
1Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
ACS omega
|August 12, 2024
概括
单束光谱为过程监测提供了传统吸收光谱的强有力的替代方案. 这种方法有效地绕过了环境和仪器漂移,确保了对胺溶液的可靠的定性和定量分析.
科学领域:
- 分析化学 分析化学
- 频谱学是一种光谱学.
- 化学测量 化学测量 化学测量
背景情况:
- 光学光谱学,像吸收一样,对环境和仪器波动敏感.
- 这些干扰使参考光谱无效,导致质量差的吸收率数据.
- 保持稳定的参考光谱在动态过程监控中具有挑战性.
研究的目的:
- 为了评估单射线光谱与吸收光谱的有效性,用于多变量分析.
- 为了比较使用两种光谱类型的主要成分分析 (PCA) 和部分最小方程 (PLS) 回归模型.
- 评估单光束光谱的适用性,以进行兰坦化物溶液的定性和定量分析.
主要方法:
- 开发了多变量PCA和PLS回归模型,使用单光束和吸收光谱.
- 用光纤紫外线可见光谱仪在各种条件下收集光谱 (波长注册,采样单元,透射率).
- 频谱类型的性能在定性歧视和定量准确性方面进行了比较.
主要成果:
- 单束光谱PCA模型显示了不同仪器条件之间的优异区别.
- 吸收率和单束PLS模型为兰坦化度提供了同等的定量结果.
- 单束光谱有效地规避了对稳定的参考光谱的需求.
结论:
- 单束光谱是一种可行的,强大的替代过程监控的吸收光谱.
- 单波光谱的多变量分析可以提高对仪器变量的区别.
- 这种方法简化了校准,并提高了光谱分析在工艺应用中的可靠性.
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