Non-equilibrium molecular-dynamics study of electromagnetic-field-induced propane-hydrate dissociation.

Non-equilibrium molecular-dynamics simulations have been performed for dissolution of planar propane-hydrate/water interfaces in externally-applied electromagnetic (e/m) fields in the microwave to far infrared range (∼2.45-200 GHz) at electric-field intensities up to 2.0 V/nm and at roughly 20 K over/under temperatures vis-à-vis the zero-field propane-hydrate melting point. Upon e/m-field application, there is a field-frequency threshold above which the dissociation rate drops significantly, with a plateau therein for larger-frequencies. It was found that higher intensity and lower frequency facilitates dissociation. Except in the presence of a thermal driving-force, the 10 GHz frequency shows more substantial rate-enhancement effect vis-à-vis static electric fields or, indeed, lower-frequency e/m fields.