在不同温度和压力条件下通过NIR光谱测定CO2在水中的可溶性
Lorena Armando da Silveira1, Lorena Mariah Oliveira Lima1, Thiago Rodrigues da Cunha1
1Center for Studies on Colloidal Systems, Institute of Technology and Research, Tiradentes University, Av. Murilo Dantas, 300, Aracaju, SE 49032-490, Brazil.
ACS omega
|January 8, 2026
概括
近红外 (NIR) 谱学提供了一种实时的,非侵入性的方法来监测二氧化碳 (CO2) 在水中的溶解度. 这种技术可以准确预测二氧化碳的溶解度,为传统的间接测量提供了替代方案.
科学领域:
- 分析化学 分析化学
- 物理化学 物理化学
- 频谱学是一种光谱学.
背景情况:
- 监测二氧化碳 (CO2) 在水中的可溶性对于工业应用至关重要.
- 测量二氧化碳溶解度的传统方法通常是侵入性,离线或间接的.
- 需要实时,非侵入性监测技术来提高工业过程的效率.
研究的目的:
- 开发一种新的方法来实时监测二氧化碳在水中的可溶性,使用近红外 (NIR) 光谱学.
- 为了在不同温度和压力条件下建立NIR光谱数据和CO2溶解度之间的相关性.
- 为了验证开发的基于NIR光谱的模型的预测能力.
主要方法:
- 使用了与NIR光谱仪集成的静态合成装置,用于非侵入性光谱数据采集.
- 在4060°C的温度和0.152.35 MPa的压力下,研究过CO2溶解在超纯水中.
- 采用部分最小平方 (PLS) 回归来将预处理的光谱数据与二氧化碳溶解度相关联,与热力学模型 (Peng-Robinson状态方程和NRTL活动系数模型) 相对校准.
主要成果:
- 开发的基于NIR光谱的PLS模型表现出高预测性能,R2值大于0.99.
- 该模型实现了CO2溶解度的平均外部预测误差为9.91%.
- 尼尔射线光谱被证明对二氧化碳和水之间的分子相互作用敏感,使得可靠的预测模型构建成为可能.
结论:
- 尼尔射线光谱为间接估计二氧化碳在水中的可溶性提供了一种可靠的实时方法.
- 这种综合方法为工业和环境监测溶解气体的传统方法提供了有价值的替代方案.
- 该研究强调了光谱技术在现场过程监测和控制方面的潜力.
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