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通过Orbitrap MS和多变量方法在产生的水中纳弗酸的表征和定量

Jussara Valente Roque¹, Marcella Ferreira Rodrigues¹, Gabriel Henry M Dufrayer¹

¹Institute of Chemistry, Federal University of Goiás, Goiânia, GO 74690-900, Brazil.

Journal of the American Society for Mass Spectrometry

|August 24, 2024

概括

一种新方法使用电子喷雾电离轨道质谱和部分最小平方回归模型准确量化产生的水中的酸 (NAs). 这为石油行业提供了一个快速的工具来缓解环境风险.

科学领域:

环境化学环境化学
分析化学分析化学
石油地质化学石油地质化学

背景情况:

纳酸 (NAs) 在原油和产水中自然存在.
纳氏体带来了重大挑战,包括炼油设备的腐蚀和水生环境中的生态毒性.

研究的目的:

开发和验证一种用于量化生产水中的NA的多变量方法.
为了利用电子喷雾电离与高分辨率轨道轨道质谱仪 (ESI-Orbitrap MS) 结合用于NA分析.

主要方法:

液体-液体提取,然后进行直接输注ESI(-) - Orbitrap MS.
应用部分最小平方回归 (PLS) 模型,增强了有序预测器选择 (OPS) 算法.
使用36个生产的水样 (24个用于校准,12个用于验证).

主要成果:

PLS-OPS模型准确地预测了模拟和实际生产的水样中的NA度.
取得的量化范围大约为30至300mg·L-1.
证明了开发的基于质谱的方法的稳定性和准确性.

结论:

开发的ESI-Orbitrap MS方法,加上PLS-OPS,为NA量化提供了快速可靠的方法.
这种方法可以显著帮助石油行业监测产生的水中的NA.
减轻与NAs相关的环境和运营风险的潜力.

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