Research Article

Diffusion of CO2 in Magnesite under High Pressure and High Temperature from Molecular Dynamics Simulations

Table 1

Activation energies and preexponential factors for CO2 diffusion, calculated by linear regression of vs. (K) under 900-2500 K and 3-50 GPa.

Pressure (GPa) (10-12 m2/s) (kJ/mol)

34.92925.2
64.91929.6
94.91133.9
124.90037.8
154.89342.1
204.88348.0
254.87353.0
304.86257.4
354.83560.4
404.77761.3
454.65761.5
504.50160.7