Publications by authors named "Richa Padhye"

Density functional theory (DFT) calculations were performed to examine exothermic surface chemistry between alumina and four fluorinated, fragmented molecules representing species from decomposing fluoropolymers: F, HF, CHF, and CF. The analysis has strong implications for the reactivity of aluminum (Al) particles passivated by an alumina shell. It was hypothesized that the alumina surface structure could be transformed due to hydrogen bonding effects from the environment that promote surface reactions with fluorinated species.

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Density functional theory (DFT) calculations were performed to understand molecular variations on an alumina surface due to exposure to a polar environment. The analysis has strong implications for the reactivity of aluminum (Al) particles passivated by an alumina shell. Recent studies have shown a link between the carrier fluid used for Al powder intermixing and the reactivity of Al with fluorine containing reactive mixtures.

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