Predicting Material Properties of Methane Hydrates with Cubic Crystal Structure Using Molecular Simulations

• Main Authors: Lorenz, Tommy, Jäger, Andreas, Breitkopf, Cornelia
• Format: Article in Journal/Newspaper
• Language: English
• Published: Wiley-VCH 2022
• Subjects: Bulk modulus; Cell potential; Density-functional tight-binding; Methane hydrates; Volumenmodul; Zellpotential; Dichtefunktionale enge Bindung; Methanhydrate; info:eu-repo/classification/ddc/540; ddc:540; info:eu-repo/classification/ddc/660; ddc:660; Enge; Methane hydrate; permafrost
• Online Access: https://nbn-resolving.org/urn:nbn:de:bsz:14-qucosa2-892534; https://tud.qucosa.de/id/qucosa%3A89253; https://tud.qucosa.de/api/qucosa%3A89253/attachment/ATT-0/

Formation of gas hydrates is an important feature of water systems. It occurs undesirably in natural gas pipelines, but also in deep-sea deposits and unfreezing permafrost. However, the natural occurrence is of particular interest because methane hydrates have one of the highest energy densities of...