We report a fluid flow in a nanochannel highly depends on the wettability of the channel surface to the fluid. The permeability of the nanochannel is usually very low, largely due to the adhesion of fluid at the solid interfaces. Using molecular dynamics (MD) simulations, we demonstrate that the flow of water in a nanochannel with rough hydrophilic surfaces can be significantly enhanced by the presence of a thin layer of supercritical carbon dioxide (scCO2) at the water–solid interfaces. The thin scCO2 layer acts like an atomistic lubricant that transforms a hydrophilic interface into a super-hydrophobic one and triggers a transition from a stick- to- a slip boundary condition for a nanoscale flow. Here, this work provides an atomistic insight into multicomponent interactions in nanochannels and illustrates that such interactions can be manipulated, if needed, to increase the throughput and energy efficiency of nanofluidic systems.
Understanding of aqueous dissolution of silicate glasses and minerals is of great importance to both Earth science and materials science. Silicate dissolution exhibits complex temporal evolution and spatial pattern formations. Recently, we showed how observed complexity could emerge from a simple self-organizational mechanism: dissolution of the silica framework in a material could be catalyzed by the cations released from the reaction itself. This mechanism enables us to systematically predict many key features of a silicate dissolution process including the occurrence of a sharp corrosion front (vs. a leached surface layer), oscillatory dissolution and multiple stages of the alteration process (e.g., an alteration rate resumption at a late stage of glass dissolution). Here, through a linear stability analysis, we show that this same mechanism can also lead to morphological instability of an alteration front, which, in combination with oscillatory dissolution, can potentially lead to a whole suite of patterning phenomena, as observed on archaeological glass samples, including wavy dissolution fronts, growth rings, incoherent bandings of alteration products, and corrosion pitting. Here, the result thus further demonstrates the importance of the proposed self-accelerating mechanism in silicate material degradation.
Active participation in international R&D is crucial for achieving the Spent Fuel Waste Science & Technology (SFWST) long-term goals of conducting "experiments to fill data needs and confirm advanced modeling approaches" and of having a "robust modeling and experimental basis for evaluation of multiple disposal system options" (by 2020). DOE's Office of Nuclear Energy (NE) has developed a strategic plan to advance cooperation with international partners. The international collaboration on the evaluation of crystalline disposal media at Sandia National Laboratories (SNL) in FY18 focused on the collaboration through the Development of Coupled Models and their Validation against Experiments (DECOVALEX- 2019) project. The DECOVALEX project is an international research and model comparison collaboration, initiated in 1992, for advancing the understanding and modeling of coupled thermo-hydro-mechanicalchemical (THMC) processes in geological systems. SNL has been participating in three tasks of the DECOVALEX project: Task A. Modeling gas injection experiments (ENGINEER), Task C. Modeling groundwater recovery experiment in tunnel (GREET), and Task F. Fluid inclusion and movement in the tight rock (FINITO). FY18 work focused on Task C and preparing the interim reports for the three tasks SNL has been imvolved. The major accomplishments are summarized
Methane (CH4) and carbon dioxide (CO2), the two major components generated from kerogen maturation, are stored dominantly in nanometer-sized pores in shale matrix as (1) a compressed gas, (2) an adsorbed surface species and/or (3) a species dissolved in pore water (H2O). In addition, supercritical CO2 has been proposed as a fracturing fluid for simultaneous enhanced oil/gas recovery (EOR) and carbon sequestration. A mechanistic understanding of CH4-CO2-H2O interactions in shale nanopores is critical for designing effective operational processes. Using molecular simulations, we show that kerogen preferentially retains CO2 over CH4 and that the majority of CO2 either generated during kerogen maturation or injected in EOR will remain trapped in the kerogen matrix. The trapped CO2 may be released only if the reservoir pressure drops below the supercritical CO2 pressure. When water is present in the kerogen matrix, it may block CH4 release. However, the addition of CO2 may enhance CH4 release because CO2 can diffuse through water and exchange for adsorbed methane in the kerogen nanopores.
Shale is characterized by the predominant presence of nanometer-scale (1-100 nm) pores. The behavior of fluids in those pores directly controls shale gas storage and release in shale matrix and ultimately the wellbore production in unconventional reservoirs. Recently, it has been recognized that a fluid confined in nanopores can behave dramatically differently from the corresponding bulk phase due to nanopore confinement (Wang, 2014). CO2 and H2O, either preexisting or introduced, are two major components that coexist with shale gas (predominately CH4) during hydrofracturing and gas extraction. Note that liquid or supercritical CO2 has been suggested as an alternative fluid for subsurface fracturing such that CO2 enhanced gas recovery can also serve as a CO2 sequestration process. Limited data indicate that CO2 may preferentially adsorb in nanopores (particularly those in kerogen) and therefore displace CH4 in shale. Similarly, the presence of water moisture seems able to displace or trap CH4 in shale matrix. Therefore, fundamental understanding of CH4-CO2-H2O behavior and their interactions in shale nanopores is of great importance for gas production and the related CO2 sequestration. This project focuses on the systematic study of CH4-CO2-H2O interactions in shale nanopores under high-pressure and high temperature reservoir conditions. The proposed work will help to develop new stimulation strategies to enable efficient resource recovery from fewer and less environmentally impactful wells.
One critical issue related to shale oil/gas production is a rapid decline in wellbore production and a low recovery rate. Therefore, maximizing wellbore production and extending the production life cycle are crucial for the sustainability of shale oil/gas production. Shale oil/gas production starts with creating a fracture network by injecting a pressurized fluid in a wellbore. The induced fractures are then held open by proppant particles. During production, oil and gas release from the shale matrix, migrate to nearby fractures, and ultimately reach a production wellbore. Given the relatively high permeability of the induced fractures, oil/gas release and transport in low-permeability shale matrix are likely a limiting step for long-term wellbore production. This project is aimed to (1) fundamentally understand the disposition and release of complex hydrocarbon mixtures in nanopore networks of shale matrix and their transport from low-permeability matrix to hydrofracking-induced fractures under various reservoir conditions ranging from black oil to dry gas and (2) use machine learning to upscale and integrate the nanometer-scale understanding into reservoir-scale model simulations. The work will help develop new stimulation strategies to enable efficient resource recovery from fewer and less environmentally impactful wells.