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Sodium and lithium ions in aerosol: thermodynamic and rayleigh light scattering properties

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Abstract

With the oceans covering more than 70% of the Earth’s surface, sea spray aerosol particles contribute significantly to the Earth’s radiation budget and serve as seeds for cloud formation and impact various biogeochemical cycles and ecosystems. The sea spray aerosol particles are being the mixture of inorganic sea salt and organic substances and are one of the largest sources of natural aerosol particles on Earth’s atmosphere. Sodium \( \left( {{\text{Na}}^{ + } } \right) \) and lithium \( \left( {{\text{Li}}^{ + } } \right) \) ions are common constituents of ocean waters and found in abundance in sea spray aerosol particles. The gaseous ammonia is the most abundant alkaline gas in the marine troposphere and plays a vital role in forming marine aerosol particles. In this study, the structural characteristics and thermodynamic properties of sodium ion and lithium ion hydrated clusters were analyzed. Ammonia containing sodium and lithium ion hydrated clusters have also been investigated. Rayleigh scattering properties of these clusters have been investigated systematically. All these properties are obtained by using different levels of density functional theory. We find that sodium and lithium ions can form stable clusters from the gas phase (i.e., nucleation). Furthermore, sodium and lithium ion hydrated aerosol formation are enhanced substantially by the presence of ammonia. Our results suggest that the Rayleigh scattering intensity shows quadratic growth with the increase in the cluster size. The results also indicate that a single ammonia molecule in cluster results in increased scattering intensity of the ammonia containing sodium and lithium ion hydrated clusters. We computed Rayleigh scattering intensities for our studied clusters at various wavelengths (∞, 700, 600, 500, and 400 nm). These wavelengths follow the same growth pattern, with 400 nm having a substantial increase of Rayleigh scattering intensities.

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Funding

This work was supported by the Council of Scientific and Industrial Research of India (Grant No. 01 (2890)/17/EMR-11). The author is also thankful to the Indian Institute of Technology Patna for financial support and research facilities at IIT Patna.

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  1. Department of Chemistry, Indian Institute of Technology Patna, Patna, 801103, India

    Jagannath Pal, Pulagam Sai Teja & Ranga Subramanian

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  1. Jagannath Pal
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Pal, J., Teja, P.S. & Subramanian, R. Sodium and lithium ions in aerosol: thermodynamic and rayleigh light scattering properties. Theor Chem Acc 139, 173 (2020). https://doi.org/10.1007/s00214-020-02683-z

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