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Dielectric relaxation of homocysteine layer between graphite walls – computer simulation  

Przemysław Raczyński ,  Krzysztof M. Górny ,  Zygmunt Gburski 

University of Silesia, Institute of Physics, Uniwersytecka 4, Katowice 40-007, Poland


    Molecular dynamics (MD) studies are presented for the homocysteine C4H9NO2S layer located between parallel graphite walls. We have calculated several dynamical observables of homocysteine at the physiological temperature T ≈ 309 K. Several physical characteristics: the radial distribution function, the mean square displacement, the translational velocity autocorrelation function and its Fourier transform, the second rank order parameter have been calculated. The attention was focused on the total dipole moment autocorrelation function, the dielectric loss spectrum ε"(ν) and absorption coefficient α(ν). The comparison with the dielectric relaxation of pure homocysteine sample (without graphite wall) is also presented and discussed.


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Related papers

Presentation: Poster at E-MRS Fall Meeting 2008, Symposium G, by Krzysztof M. Górny
See On-line Journal of E-MRS Fall Meeting 2008

Submitted: 2008-05-14 13:13
Revised:   2009-06-07 00:48