相关论文: Subsurface hydrogen storage controlled by small-sc…
We study the influence of the relative size of the reservoir on the adsorption isotherms of a fluid in disordered or inhomogeneous mesoporous solids. We consider both an atomistic model of a fluid in a simple, yet structured pore, whose…
CO$_2$ sequestration in subsurface reservoirs is important for limiting atmospheric CO$_2$ concentrations. However, a complete physical picture able to predict the structure developing within the porous medium is lacking. We investigate…
We investigate the influence of microstructural traps on hydrogen diffusion and embrittlement in the presence of cyclic loads. A mechanistic, multi-trap model for hydrogen transport is developed, implemented into a finite element framework,…
Underground storage of hydrogen and ammonia in geological formations is essential for renewable energy integration, but salt precipitation during gas injection may threaten storage performance. While extensively studied for CO2 systems,…
Large scale modelling of fluid flow coupled with solid failure in geothermal reservoirs or hydrocarbon extraction from reservoir rocks usually involves behaviours at two scales: lower scale of the inelastic localization zone, and larger…
We investigate the physical properties of molecular hydrogen (H2) in isolated and interacting disk galaxies with different masses and Hubble types by using chemodynamical simulations with H2 formation on dust grains and dust growth and…
Periodic forcing of flow in compressible porous media is an important driver for solute dispersion and mixing in geological and engineered porous media subject for example to tides, pumping and recharge cycles, or fluid injection and…
Sedimentary rocks often form the upper layers or the entire target rocks in impact events. Thermodynamic properties of sedimentary rocks related to porosity and water saturation affect the process of impact crater formation. The…
We study the transport properties of a system of active particles moving at constant speed in an heterogeneous two-dimensional space. The spatial heterogeneity is modeled by a random distribution of obstacles, which the active particles…
A fluid in a pore can form diverse heterogeneous structures. We combine a capillary description with the cubic-plus-association equation of state to study the thermodynamic stability of droplets, bubbles and films of water at 358 K in a…
Structure, stability and reactivity of clathrate hydrates with or without hydrogen encapsulation are studied using standard density functional calculations. Conceptual density functional theory based reactivity descriptors and the…
This study refutes the premise that the distribution of flow speeds in complex porous media can be described by a simple function such as a normal or exponential variation. In many complex porous media, including those relevant for…
A comprehensive phase diagram of lowest-energy structures and compositions of the rutile TiO_2(110) surface in equilibrium with a surrounding gas phase at finite temperatures and pressures has been determined using density functional theory…
Imbibition plays a central role in diverse energy, environmental, and industrial processes. In many cases, the medium has multiple parallel strata of different permeabilities; however, how this stratification impacts imbibition is poorly…
The interaction of hydrogen with many transition metal surfaces is characterized by a coexistence of activated with non-activated paths to adsorption with a broad distribution of barrier heights. By performing six-dimensional quantum…
Large-scale storage technologies are crucial to balance consumption and intermittent production of renewable energy systems. One of these technologies can be developed by converting the excess energy into compressed air or hydrogen, i.e.,…
Secondary flows induced by spanwise heterogeneous surface roughness play a crucial role in determining engineering-relevant metrics such as surface drag, convective heat transfer, and the transport of airborne scalars. While much of the…
Today, fast-growing energy demands and fuel resource depletion are among the hottest concerning issues that treating our world. So, a huge need is felt to find efficient, affordable and eco-friendly energy storage and production systems.…
The morphology of water ice in the interstellar medium is still an open question. Although accretion of gaseous water could not be the only possible origin of the observed icy mantles covering dust grains in cold molecular clouds, it is…
While the small sticking coefficient for molecular hydrogen on the Si(001) surface apparently requires a large energy barrier of adsorption, no such barrier is observed in desorption experiments. We have calculated the potential-energy…