Aquaphotomics for monitoring of groundwater using short-wavelength near-infrared spectroscopy

Abstract

Water spectrum of any aqueous system contains information about OH covalent and hydrogen bonds that are highly influenced by the environment and the rest of the molecules in the system. When aquaphotomics is used to analyze the water near infrared (NIR) spectra, the information about the water molecular structure can be obtained as a function of internal and external factors. The objective of this research is to apply aquaphotomics analysis to evaluate different groundwaters by using their NIR unique spectral pattern, robust to external influences of temperature and humidity, that can potentially be used for water type identification and screening practice. Two groundwaters obtained at different depths and their mixture, differing in mineral content and molecular structure were monitored on a daily basis using portable visible/NIR (vis/NIR) spectrometer during three consecutive years. The spectra were pre-processed by smoothing and multiplicative scatter correction (MSC) to remove noise and baseline effects. Results showed that NIR spectral patterns of groundwater samples were affected by changes in environmental factors - temperature, humidity, time and others. The water absorbance bands which are highly influenced by humidity and temperature in short wavelength NIR region were identified. Their avoidance resulted in obtaining consistent spectral patterns during the entire monitoring period, unique for each groundwater, that can be used as its fingerprint and monitored over time. Consistency and uniqueness of the spectral pattern for each groundwater provide a potential to use the deviation of spectral pattern as an indicator of changes in the water. These results confirm that vis/NIR spectral pattern can be used as an integrative marker of water status, stable over time, providing the basis for an efficient cost-effective method for monitoring of water functionality.

Keywords: Aquaphotomics; Environmental factors; Spectral monitoring; Water molecular system; Water quality.