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- W2024593268 abstract "In this review, we describe recent efforts to systematically study nano-structured metal organic frameworks (MOFs), also known as metal organic heat carriers, with particular emphasis on their application in heating and cooling processes. We used both molecular dynamics and grand canonical Monte Carlo simulation techniques to gain a molecular-level understanding of the adsorption mechanism of gases in these porous materials. We investigated the uptake of various gases such as refrigerants R12 and R143a. We also evaluated the effects of temperature and pressure on the uptake mechanism. Our computed results compared reasonably well with available measurements from experiments, thus validating our potential models and approaches. In addition, we investigated the structural, diffusive and adsorption properties of different hydrocarbons in Ni2(dhtp). Finally, to elucidate the mechanism of nanoparticle dispersion in condensed phases, we studied the interactions among nanoparticles in various liquids, such as n-hexane, water and methanol." @default.
- W2024593268 created "2016-06-24" @default.
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- W2024593268 date "2014-02-05" @default.
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- W2024593268 title "Computational studies of adsorption in metal organic frameworks and interaction of nanoparticles in condensed phases" @default.
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- W2024593268 doi "https://doi.org/10.1080/08927022.2013.829224" @default.
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