New insights into methane hydrate dissociation: Utilization of molecular dynamics strategy

The dynamic behavior of gas hydrate dissociation by heating in tight sandy reservoirs: A molecular dynamics simulation study

“…Previous studies focused on hydrate phase behavior [9][10][11], nucleation and growth [12][13][14][15][16][17][18][19][20][21][22][23][24], transport properties [25,26], and chemical inhibition [27][28][29][30][31][32][33][34][35][36][37]. In addition, the kinetics of methane hydrates dissociation within the water phase have been widely studied using MD simulation and discussed in detail in previous studies [38][39][40][41][42][43][44][45][46][47][48][49][50][51][52][53]. The dissociation processes of NGHs is described as a two-step process: first, the enhanced diffusive behaviors of the host water molecules in the hydrate crystals lead to unit cell size increases and distortions that ultimately break down the lattices, and second, methane molecules escape from these incomplete cages and aggr...…”

Numerical Simulation on the Dissociation, Formation, and Recovery of Gas Hydrates on Microscale Approach

“…The molecular dynamics (MD) simulation is seen as an effective method to provide a molecular level of understanding on microscopic mechanisms, in regard to structural and dynamical properties [ 33 , 91 , 92 , 93 ]. The MD method is needed to understand the molecular structure of hydrates and the mechanism of dissociation or hydrate formation [ 15 , 34 , 94 ].…”

“…Moreover, MD was also used to investigate the mechanism/microscopic phenomena and intermolecular forces in the methane hydrate dissociation [ 96 , 97 ]. Kondori, Zendehboudi [ 33 ] observed the stability of the water cage at various dissociation times, temperatures, and pressures. They found that, based on the radial distribution function and the mean squared displacement of oxygen–oxygen and carbon–carbon atoms, the stability of the hydrate cage decreased with increasing temperature.…”

“…In addition, the molecular dynamics (MD) simulation was implemented as a robust method to overcome microporous media modeling by studying the performances of the different systems and chemicals at the molecular stages [ 15 , 32 ]. Nowadays, MD simulation is carried out to investigate the radial distribution function (RDF), mean square displacement (MSD), thermal expansion coefficient, diffusion coefficient, heat capacity, and thermal conductivity for different structures of gas hydrates at the various processes and thermodynamic conditions [ 33 , 34 , 35 ].…”

Non-Isothermal Kinetic Model of the Methane Hydrate Dissociation Process at Temperatures Below Ice Melting Point

“…Studies of the hydrate decomposition kinetics are possible only when sufficiently small (microns) particles are used [30]. There are also known studies, in which the molecular dynamics of the processes of decomposition and formation of gas hydrates is simulated [31][32][33]. In reality, however, hydrate particles are much larger, therefore, in the study of their dissociation, transport processes must be taken into account.…”