Publications by authors named "D A Sverjensky"

How life started on Earth is an unsolved mystery. There are various hypotheses for the location ranging from outer space to the seafloor, subseafloor, or potentially deeper. Here, we applied extensive ab initio molecular dynamics simulations to study chemical reactions between NH, HO, H, and CO at pressures () and temperatures () approximating the conditions of Earth's upper mantle (i.

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Ocean sediments consist mainly of calcium carbonate and organic matter (phytoplankton debris). Once subducted, some carbon is removed from the slab and returns to the atmosphere as CO in arc magmas. Its isotopic signature is thought to reflect the bulk fraction of inorganic (carbonate) and organic (graphitic) carbon in the sedimentary source.

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The water-gas shift reaction is one of the most important reactions in industrial hydrogen production and plays a key role in Fischer-Tropsch-type synthesis, which is widely believed to generate hydrocarbons in the deep carbon cycle but is little known at extreme pressure-temperature conditions found in the Earth's upper mantle. Here, we performed extensive ab initio molecular dynamics simulations and free energy calculations to study the water-gas shift reaction. We found the direct formation of formic acid from CO and supercritical water at 10-13 GPa and 1400 K without any catalyst.

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Geological sources of H and abiotic CH have had a critical role in the evolution of our planet and the development of life and sustainability of the deep subsurface biosphere. Yet the origins of these sources are largely unconstrained. Hydration of mantle rocks, or serpentinization, is widely recognized to produce H and favour the abiotic genesis of CH in shallow settings.

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Article Synopsis
  • The study examines how nucleic acid components, like nucleotides, interact with the mineral brucite in water, focusing on their adsorption properties and thermodynamic behavior.
  • Researchers used the extended triple-layer model to analyze adsorption data and infrared spectroscopy to understand the interactions between the nucleic acids and the mineral's surface.
  • Findings indicate that brucite prefers nucleotides over nucleosides and nucleobases, suggesting its potential role in prebiotic molecular organization and aiding in life detection efforts.
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