Molecular dynamic simulation of the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture
نویسندگان
چکیده
The microscopic molecular characteristic will impact on the mechanical property of hydrate. Thus, dynamics simulation is employed to investigate and methane hydrate/ water/ ice mixture system. brittle fracture occurred during tensile deformation Besides, maximum stress system lower than that intact hydrate strain studied smaller pure order parameters F3 F4 can be used for determining position changing micro configuration interface.
منابع مشابه
Thermal conductivity of methane hydrate from experiment and molecular simulation.
A single-sided transient plane source technique has been used to determine the thermal conductivity and thermal diffusivity of a compacted methane hydrate sample over the temperature range of 261.5-277.4 K and at gas-phase pressures ranging from 3.8 to 14.2 MPa. The average thermal conductivity, 0.68 +/- 0.01 W/(m K), and thermal diffusivity, 2.04 x 10(-7) +/- 0.04 x 10(-7) m2/s, values are, re...
متن کاملCalculation of Physical Properties of the Methanol-Water Mixture Using Molecular Dynamics Simulation
In this study some properties ofthe methanol-water mixture such as diffusivity, density, viscosity, and hydrogen bonding were calculated at different temperatures and <span style="font-size: 10pt; colo...
متن کاملMolecular Dynamics Simulation of Methanol-Water Mixture
In this study some properties of the methanol-water mixture such as diffusivity, density, viscosity, and hydrogen bonding were calculated at different temperatures and atmospheric pressure using molecular dynamics simulations (MDS). The results were compared with the available experimental data as well as some theoretical models; overall indicating a good agreement. This shows the useful and ef...
متن کاملEffect of Defects on Mechanical Properties of Graphene under Shear Loading Using Molecular Dynamic Simulation
Graphene sheet including single vacancy, double vacancy and Stone-Wales with armchair and zigzag structure was simulated using molecular dynamics simulation. The effect of defects on shear’s modulus, shear strength and fracture strain was investigated. Results showed that these shear properties reduce when the degrees of all kinds of defects increase. The dangling bond in SV and DV defected gr...
متن کاملMolecular-dynamics simulations of methane hydrate dissociation.
Nonequilibrium molecular-dynamics simulations have been carried out at 276.65 K and 68 bar for the dissolution of spherical methane hydrate crystallites surrounded by a liquid phase. The liquid was composed of pure water or a water-methane mixture ranging in methane composition from 50% to 100% of the corresponding theoretical maximum for the hydrate and ranged in size from about 1600 to 2200 w...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: E3S web of conferences
سال: 2021
ISSN: ['2555-0403', '2267-1242']
DOI: https://doi.org/10.1051/e3sconf/202126102004