%0 Book
%T Mixture of methane and hydrogen under planetary conditions
%A Roy, Argha
%D 2025
%C Germany; Rostock
%C Universität Rostock
%G English
%F 1984175440
%O vorgelegt von Argha Jyoti Roy
%O Enthält Zeitschriftenartikel
%O GutachterInnen: Ronald Redmer (Universität Rostock) ; Andreas Hermann (University of Edinburgh)
%O Dissertation Universität Rostock 2026 Kumulative Dissertation
%X This thesis examines the thermodynamic and electronic properties of methane (CH4) - hydrogen (H2) mixtures under high pressure and temperature conditions relevant to Uranus- and Neptune-like planets. Density functional theory molecular dynamics (DFT-MD) simulations are employed to analyze the equation of state, structural changes, the influence of varying hydrogen concentrations, and to evaluate the validity of the linear mixing approximation. Furthermore, to mitigate the computational limitations of DFT-MD, a novel approach combining stochastic-DFT (sDFT) with Langevin dynamics is introduced.<eng>
%L 530
%9 theses
%9 Text
%9 Hochschulschrift
%R 10.18453/rosdok_id00005794
%U https://purl.uni-rostock.de/rosdok/id00005794
%U https://nbn-resolving.org/urn:nbn:de:gbv:28-rosdok_id00005794-0
%U https://d-nb.info/1420686488/34
%U https://doi.org/10.18453/rosdok_id00005794