Computer modeling of hydrogen and methane transport in cellular nanostructures of amorphous ice

Abstract

New computer modeling of the condensed state of water is offered. Mechanisms of polyamorphic transformations of high-density amorphous (HDA) and low-density amorphous (LDA) phases of cryogenic ice and their properties to accumulate methane and hydrogen are studied. As have shown essential distinction in the average size of compact clusters (H2O)n in the cryogenic HDA-ice (n ∼105 ) and LDA-ice (n ∼30) allows to change a share of methane accumulation inside clusters of amorphous ice. In HDA-ice large clusters can accumulate a lot more methane molecules than in the case of LDA-ice. Density jumps on polyamorphic transition of ice allows obtaining reversible accumulation of methane inside cellular nanostructures of cryogenic amorphous ice.