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The Kinetic Modeling of Methane Hydrate Growth by Differential Scanning Calorimetry Measurements and Molecular Dynamic Simulations | ||
| Progress in Engineering Thermodynamics and Kinetics | ||
| مقالات آماده انتشار، پذیرفته شده، انتشار آنلاین از تاریخ 21 مهر 1404 | ||
| نوع مقاله: Original Article | ||
| شناسه دیجیتال (DOI): 10.22075/jpetk.2025.24839.1003 | ||
| نویسنده | ||
| Parisa Naeiji* | ||
| Semnan University | ||
| تاریخ دریافت: 19 مهر 1400، تاریخ بازنگری: 25 خرداد 1404، تاریخ پذیرش: 11 شهریور 1404 | ||
| چکیده | ||
| The formation kinetics of methane hydrate were examined using differential scanning calorimetry (DSC) and molecular dynamics (MD) simulations. A kinetic model was established based on principles of irreversible and non-equilibrium thermodynamics and the concept of the thermodynamic natural path. This model employed affinity as a thermodynamic function, driving the hydrate formation process. It accurately predicted methane hydrate growth from both experimental and simulation data, demonstrating that hydrate formation follows a natural path. This model includes two parameters with distinct dependencies. One parameter, n, remained nearly constant, with experimental results averaging -6.8 and simulation data ranging from -1.05 to 1.46. The other parameter, k, is influenced by operational conditions and serves as a kinetic index. The value of k changed with variations in temperature, pressure, and additive concentration, increasing by 10 to 100 times with higher system pressure and by 2 to 3 orders of magnitude with the addition of tetrahydrofuran. | ||
| کلیدواژه‌ها | ||
| Differential Scanning Calorimetry؛ Molecular Dynamic Simulation؛ Growth Kinetics؛ Non-Equilibrium Thermodynamics؛ Gas Hydrate | ||
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آمار تعداد مشاهده مقاله: 1 |
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