Mixture of methane and hydrogen under planetary conditions
Roy, Argha
1997-
VerfasserIn
aut
Redmer, Ronald
1958-
AkademischeR BetreuerIn
dgs
Hermann, Andreas
AkademischeR BetreuerIn
dgs
Universität Rostock
Grad-verleihende Institution
dgg
Universität Rostock
Mathematisch-Naturwissenschaftliche Fakultät
Grad-verleihende Institution
dgg
text
theses
Text
Hochschulschrift
gw
2025
monographic
XA-DE
Rostock
Universität Rostock
publisher
October 15, 2025
Rostock
Universitätsbibliothek Rostock
distributor
eng
ger
application/pdf
1 Online-Ressource (verschiedene Seitenzählungen) Illustrationen, Diagramme
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>
Open Access
Namensnennung 4.0 International
vorgelegt von Argha Jyoti Roy
Enthält Zeitschriftenartikel
GutachterInnen: Ronald Redmer (Universität Rostock) ; Andreas Hermann (University of Edinburgh)
Dissertation Universität Rostock 2026 Kumulative Dissertation
530
660.296
660
https://purl.uni-rostock.de/rosdok/id00005794
https://doi.org/10.18453/rosdok_id00005794
https://nbn-resolving.org/urn:nbn:de:gbv:28-rosdok_id00005794-0
https://d-nb.info/1420686488/34
Mixture of methane and hydrogen under planetary conditions
Rostock : Universität Rostock, 2025
Druck-Ausgabe
(DE-627)1984180703
Roy, Argha, 1997 -
urn:nbn:de:gbv:28-rosdok_id00005794-0
10.18453/rosdok_id00005794
1616345131
rda
DE-627
260916
1984175440
20261008T065313.0
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(Revision 1.174 20250328)
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