Research Article
Molecular Dynamics Simulation of the Effects of Methane Hydrate Phase Transition on Mechanical Properties of Deep-Sea Methane Hydrate-Bearing Soil
Table 1
Lennard-Jones potential parameters [
25,
27,
29].
| Molecule | Atom | (kJ/mol) | () | q (e) |
| H2O | O | 0.1555 | 3.488 | −0.82 | H | 0 | 0 | 0.41 | CH4 | C | 0.066 | 3.5 | −0.4 | H | 0.03 | 2.5 | 0.41 | α-quartz | Si | 0.5335 | 3.795 | 2.4 | O (SiO2) | 0.6487 | 3.154 | −0.82 | H (at α-quartz boundary) | 0 | 0 | 0.41 | O (at α-quartz boundary) | 0.1555 | 3.488 | −0.82 |
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