Combined Natural Gas Separation and Storage Based on in Silico Material Screening and Process Optimization

We propose an intensified process for combined separation and storage (CSS) of natural gas from various unconventional sources using a single multifunctional unit. The CSS process involves selectively storing methane in a column filled with an existing nanoporous zeolite material, while venting out the impurities. A multiscale model is used to optimize the methane storage and screen for the top zeolites under minimum purity requirements and loss constraints. Adsorption properties for different zeolites are obtained via Monte Carlo simulations. Zeolite SBN with a high storage capacity for pure methane is found to be most suitable for combined separation and storage over a range of feed compositions. A rank ordered list of top zeolites is also obtained along with the optimal process conditions. It is, however, observed that the effectiveness of the intensification of natural gas separation and storage is limited by the constraint on the loss of methane exiting the column.