Title of article :
Computer modeling of hydrogen and methane transport in cellular nanostructures of amorphous ice
Author/Authors :
Beznosyuk، نويسنده , , S.A. and Fomina، نويسنده , , L.V. and Perezhogin، نويسنده , , A.A. and Zhukovsky، نويسنده , , M.S.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2007
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.
Keywords :
Quantum field chemistry and thermo field dynamics , Cellular nanostructures of cryogenic amorphous ice , Accumulation of methane and hydrogen in cryogenic amorphous ice , Density jumps on polyamorphic transition of cryogenic amorphous ice
Journal title :
Materials Science and Engineering C
Journal title :
Materials Science and Engineering C