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Molecular dynamics investigation of the interaction between IR radiation and an ammonia-water medium

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Abstract

The frequency dependence of the absorption factor and refractive index of a dispersion water system absorbing ammonia are studied by means of molecular dynamics. It is found that the capture of the ammonia molecules by water clusters is accompanied by a substantial reduction in their ability to absorb IR radiation in the frequency range 0 ≤ ω ≤ 3500 cm−1, and the refractive index of the ammonia-water system of clusters is lowered. It is shown that the maxima of the absorption spectra and the refractive index shift to higher frequencies. Starting from a certain concentration of ammonia in the clusters, however, the integral intensity of the spectra increases.

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Correspondence to A. E. Galashev.

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Original Russian Text © A.E. Galashev, 2013, published in Zhurnal Fizicheskoi Khimii, 2013, Vol. 87, No. 6, pp. 985–988.

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Galashev, A.E. Molecular dynamics investigation of the interaction between IR radiation and an ammonia-water medium. Russ. J. Phys. Chem. 87, 963–966 (2013). https://doi.org/10.1134/S0036024413060095

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  • DOI: https://doi.org/10.1134/S0036024413060095

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