TY  - BOOK
AU  - Roy, Argha
PY  - 2025
DA  - 2025//
TI  - Mixture of methane and hydrogen under planetary conditions
PB  - Universität Rostock
CY  - Germany; Rostock
AB  - 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>
UR  - https://purl.uni-rostock.de/rosdok/id00005794
UR  - https://nbn-resolving.org/urn:nbn:de:gbv:28-rosdok_id00005794-0
UR  - https://d-nb.info/1420686488/34
UR  - https://doi.org/10.18453/rosdok_id00005794
DO  - 10.18453/rosdok_id00005794
LA  - English
N1  - vorgelegt von Argha Jyoti Roy
ID  - 1984175440
ER  -