The kinetic modeling of methane hydrate growth by differential scanning calorimetry measurements and molecular dynamic simulations

Document Type : Original Article

Author

Semnan University

Abstract

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.




 
 
 
 
 

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Sustainable Energy & Chemical Engineering
Volume 1, Issue 3
September 2025

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