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| Format: | Preprint |
| Publié: |
2023
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| Accès en ligne: | https://arxiv.org/abs/2311.01182 |
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| _version_ | 1866917600416497664 |
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| author | Tanaka, Motohiko |
| author_facet | Tanaka, Motohiko |
| contents | Molecular dynamics simulations are utilized to study the microwave heating of methane hydrate by the five-body rotation coordinate system with the TIP5P-Ewald model. The structure I of methane hydrate is constructed, and the ice and free methane or methane hydrate are exposed to microwave electric fields of 10 GHz. Provisional methane hydrate of the normal density and a temperature of 273 K is dynamically unstable and collapses after some periods of irradiation. The period of a collapse time is $1.7 \times 10^{6} τ$ and the temperature increase is $ΔT \cong 61$ deg, with the external electric field $3 \times 10^{7} \rm{V/cm}$ (i.e. 0.3 V/Å) and $τ= 1 \times 10^{-14}$ s. For the ice and free methane of the temperature 193 K and the pressure 1 atm, the system is stable while it is heated under microwave irradiation. About the temperature of 273 K, high density methane hydrate becomes stable, whereas the density of 0.93 g/cm$^{3}$ is marginally stable but is heated when microwaves are present. In the microwave device of 1,000 V/cm and the pressure 1 atm, the simulation of the ice and methane points to 1 s in the 100\% microwave efficiency. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2311_01182 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Molecular dynamics simulations of ice and methane hydrate by means of the rotation coordinate TIP5P-Ewald model Tanaka, Motohiko Chemical Physics Molecular dynamics simulations are utilized to study the microwave heating of methane hydrate by the five-body rotation coordinate system with the TIP5P-Ewald model. The structure I of methane hydrate is constructed, and the ice and free methane or methane hydrate are exposed to microwave electric fields of 10 GHz. Provisional methane hydrate of the normal density and a temperature of 273 K is dynamically unstable and collapses after some periods of irradiation. The period of a collapse time is $1.7 \times 10^{6} τ$ and the temperature increase is $ΔT \cong 61$ deg, with the external electric field $3 \times 10^{7} \rm{V/cm}$ (i.e. 0.3 V/Å) and $τ= 1 \times 10^{-14}$ s. For the ice and free methane of the temperature 193 K and the pressure 1 atm, the system is stable while it is heated under microwave irradiation. About the temperature of 273 K, high density methane hydrate becomes stable, whereas the density of 0.93 g/cm$^{3}$ is marginally stable but is heated when microwaves are present. In the microwave device of 1,000 V/cm and the pressure 1 atm, the simulation of the ice and methane points to 1 s in the 100\% microwave efficiency. |
| title | Molecular dynamics simulations of ice and methane hydrate by means of the rotation coordinate TIP5P-Ewald model |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2311.01182 |