Molecular dynamics simulation of diffusion coefficients and structural properties of mono- and polyethylene glycols
K.V. Berezin (Saratov State University), A.M. Likhter, I.T. Shagautdinova (Astrahan State University), V.V. Nechaev (Yuri Gagarin State Technical University of Saratov)
Abstract
Molecular dynamics (MD) simulations were employed to compute diffusion coefficients of some mono- and polyethylene glycols, which are in quite good agreement with experimental data available in the literature. The good agreement between calculated and measured data validates the MD simulations as a cheap and fast alternative to predict optical clearing efficiency using different immersion agents.
Speaker
K.N. Dvoretskiy
Saratov State Medical University
Russia
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