Two approaches for modelling hydrate growth

We consider two different approaches to model growth of CO2 hydrate, phase field theory and a model based on cellular automata. The two approaches are applied to simulations of hydrate growth from supersaturated aqueous solution of CO2. The thermodynamic models for the solution properties are derived from experimental solubility data while the hydrate thermodynamics is based on adsorption theory with reference properties derived from molecular simulations. We show that the cellular automata approach has the benefit of being much more computationally efficient, and are still giving results which are consistent with results from the phase field theory.