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Carbon dioxide (CO2) hydrates hold promising applications in capturing and separating CO2 for climate change mitigation. Understanding their behavior at the molecular level is therefore essential, and computer simulations have become…
Depleted carbonate hydrocarbon reservoirs are promising sites for geological CO2 storage, yet the presence of residual hydrocarbons introduces complex pore-scale interactions that influence the dynamics of solid dissolution. This study…
We consider super-Earth sized planets which have a water mass fraction that is large enough to form an external mantle composed of high pressure water ice polymorphs and that lack a substantial H/He atmosphere. We consider such planets in…
The current resurgence in the phase diagram study beyond the critical point has questioned the conventional belief of supercritical fluid as a single phase with varying properties. On the same line, a novel two-phase approach has been…
We propose a model for the simulation of the blowdown of vessels containing two-phase (gas-liquid) hydrocarbon fluids, considering non equilibrium between phases. Two phases may be present either already at the beginning of the blowdown…
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…
We use three-dimensional hydrodynamic numerical simulations to study phase transformations occurring in a clumpy interstellar gas exposed to time-dependent volumetric heating. To mimic conditions in the Galactic interstellar medium, we take…
Kinetic plasma turbulence cascade spans multiple scales ranging from macroscopic fluid flow to sub-electron scales. Mechanisms that dissipate large scale energy, terminate the inertial range cascade and convert kinetic energy into heat are…
Systems with a high degree of size polydispersity are becoming standard in the computational study of deeply supercooled liquids. In this work we perform a systematic analysis of continuously polydisperse fluids as a function of the degree…
The liquid-gas density ratio is a key property of multiphase flow methods to model real fluid systems. Here, a chemical-potential multiphase lattice Boltzmann method is constructed to realize extremely large density ratios. The simulations…
We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes with different degrees of deformation at 300 K. We found that the number of hydrogen bonds that water forms depends on nanotube topology,…
A novel system containing nanoporous materials and carbonate ions is proposed, which is capable to capture CO2 from ambient air simply by controlling the amount of water (humidity) in the system. The system absorbs CO2 from the air when the…
Phase transitions are in the focus of the modeling of multiphase flows. A large number of models is available to describe such processes. We consider several different two phase models that are based on the Euler equations of compressible…
Underground gas storage is a critical technology in global efforts to mitigate climate change. In particular, hydrogen storage offers a promising solution for integrating renewable energy into the power grid. When injected into the…
The properties of hydrogen at high pressure have wide implications in astrophysics and high-pressure physics. Its phase change in the liquid is variously described as a metallization, H2-dissociation, density discontinuity or plasma phase…
Using thermodynamic and variational principles we examine a basic phase field model for a mixture of two incompressible fluids in strongly perforated domains. With the help of the multiple scale method with drift and our recently introduced…
Recent reports on the formation of hydrogen peroxide (H$_2$O$_2$) in water microdroplets produced via pneumatic spraying or capillary condensation have garnered significant attention. How covalent bonds in water could break under such…
A new vertical water tunnel with global temperature control and the possibility for bubble and local heat & mass injection has been designed and constructed. The new facility offers the possibility to accurately study heat and mass transfer…
The width of the distribution of species in a polydisperse system is employed in a small-variable expansion, to obtain a well-controlled and compact scheme by which to calculate phase equilibria in multi-phase systems. General and universal…
There is a growing interest in the study of plasma-liquid interactions with application to biomedicine, chemical disinfection, agriculture, and other fields. This work models the momentum, heat, and neutral species mass transfer between gas…