Confinement Effects on Carbon Dioxide Methanation: A Novel Mechanism for Abiotic Methane Formation

Le, Thu; Striolo, Alberto; Turner, C. Heath; Cole, David R.

doi:10.1038/s41598-017-09445-1

Title: Confinement Effects on Carbon Dioxide Methanation: A Novel Mechanism for Abiotic Methane Formation

Journal Article · Mon Aug 21 00:00:00 EDT 2017 · Scientific Reports

DOI: https://doi.org/10.1038/s41598-017-09445-1 · OSTI ID:1425460

Le, Thu ^[1]; Striolo, Alberto ^[2]; Turner, C. Heath ^[3]; Cole, David R. ^[4]

Univ. College London (United Kingdom); Ohio State University, Columbus, Ohio
Univ. College London (United Kingdom)
Univ. of Alabama, Tuscaloosa, AL (United States)
The Ohio State Univ., Columbus, OH (United States)

An important scientific debate focuses on the possibility of abiotic synthesis of hydrocarbons during oceanic crust-seawater interactions. While on-site measurements near hydrothermal vents support this possibility, laboratory studies have provided data that are in some cases contradictory. At conditions relevant for sub-surface environments it has been shown that classic thermodynamics favour the production of CO₂ from CH₄, while abiotic methane synthesis would require the opposite. However, confinement effects are known to alter reaction equilibria. This report shows that indeed thermodynamic equilibrium can be shifted towards methane production, suggesting that thermal hydrocarbon synthesis near hydrothermal vents and deeper in the magma-hydrothermal system is possible. We report reactive ensemble Monte Carlo simulations for the CO₂ methanation reaction. We compare the predicted equilibrium composition in the bulk gaseous phase to that expected in the presence of confinement. In the bulk phase we obtain excellent agreement with classic thermodynamic expectations. When the reactants can exchange between bulk and a confined phase our results show strong dependency of the reaction equilibrium conversions, X_CO₂, on nanopore size, nanopore chemistry, and nanopore morphology. Some physical conditions that could shift significantly the equilibrium composition of the reactive system with respect to bulk observations are discussed.

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Research Organization:: The Ohio State Univ., Columbus, OH (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0006878

OSTI ID:: 1425460

Journal Information:: Scientific Reports, Journal Name: Scientific Reports Journal Issue: 1 Vol. 7; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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