Although our understanding of the full range of pore features developed in various geological settings continues to advance, we expect that the thermo-physical behavior of complex supercritical C-O-H fluids in nano-confined geometries will exhibit significant differences compared to bulk fluids. There is general agreement that the collective structure and properties of bulk fluids such a CH4, C2H6 and CO2 are altered by solid substrates, confinement between two mineral surfaces or in narrow pores due to the interplay of the intrinsic length scales of the fluid and the length scale of confinement. The resulting interfacial areas are relatively large within the pore volume and therefore control chemical and transport behavior in shale and other earth materials containing nanopore regimes. The combined effect of intermolecular forces that vary among different mineral systems and fluid confinement results in unique (and, poorly constrained) perturbations to a wide range set of thermodynamic and transport parameters, different from those observed in the bulk phase. The challengeis o characterize the fluid behavior (e.g. phase transitions, molecular orientation and relaxation, diffusion, adsorption, contact angle, surface tension, etc.) within internal nano-pore or fracture networks. The overarching goal is to develop a fundamental, molecular- to macroscopic-level understanding of the sorptivity, structure, dynamics and reactivity of C-O-H fluids at mineral surfaces or within nanoporous matrices for temperatures, pressures and compositions encountered in energy-relevant near-surface and shallow crustal environments. This presentation will provide an overview of the application of state-of-the-art experimental, analytical and computational tools to assess key features of the fluid-matrix interaction under nanconfnement. The multidisciplinary approaches highlighted will include neutron scattering, thermodynamic measurements and molecular-level simulations to assess molecular properties of different mixtures of C-O-H fluids in nanpores. Examples of key results include: (1) Diffusivity of methane in nanopores is highly dependent on substrate type and its effect on water structure, its free energy landscape and hydrogen bonding on the surface where the order for methane diffusion rate is SiO2&gt;MgO&gt;Al2O3&gt;muscovite@calcite. (2) Preferential adsorption of either CO2 or H2O on the pore surface can affect the equilibrium and kinetics of conversion of CO2 to CH4..

Nanopore confinement of C-H-O mixed-volatile fluids relevant to subsurface energy systems

Macromolecular Chemistry: The Second Century

[Author Benefits](https://scimeetings.acs.org/?utm_source=pubs_content_marketing&utm_medium=website&utm_campaign=0320_MCF_NPI_Launch_Spring_Homepage&ref=pubs_content_marketing)

[How to use SciMeetings](https://storage.googleapis.com/dl.morressier.com/acs/SciMeetings-ACSSpring2020-HowToGuide_M3020-Final.pdf)

[Frequently Asked Questions](https://storage.googleapis.com/dl.morressier.com/acs/SciMtng_ACSNMSp2020_FAQ_M3120_Final.pdf)

ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.