相关论文: Modeling of Ex-Situ Dissolution for Geologic Seque…
In$_2$O$_3$-based catalysts have shown high activity and selectivity for CO$_2$ hydrogenation to methanol, however the origin of the high performance of In$_2$O$_3$ is still unclear. To elucidate the initial steps of CO$_2$ hydrogenation…
The transport of CO2 across the air-water interface is central to physical oceanography and carbon sequestration. A comprehensive understanding of this process requires high-resolution diagnostics of diffusion, absorption, and reaction…
The gas-phase CO abundance (relative to hydrogen) in protoplanetary disks decreases by up to 2 orders of magnitude from its ISM value ${\sim}10^{-4}$, even after accounting for freeze-out and photo-dissociation. Previous studies have shown…
Quantitative and realistic computer simulations of mass transfer associated with CO2 disposal in subsurface aquifers is a challenging endeavor. This article has proposed a novel and efficient multiscale modeling framework, and has examined…
In this paper, the solubility of carbon dioxide (CO$_{2}$) in water along the isobar of 400 bar is determined by computer simulations using the well-known TIP4P/Ice force field for water and TraPPE model for CO$_{2}$. In particular, the…
The paper has been suggested by two observations: 1) the atmospheric CO$_2$ growth rate is smaller than that ascribed to the emission of fossil fuels combustion, 2) the fossil fuel reserves are finite. The first observation has lead the way…
Current methods of monitoring subsurface CO$_2$, such as repeat seismic surveys, are episodic and require highly skilled personnel to acquire the data. Simulations based on simplified models have previously shown that muon radiography could…
Rapid and sustained condensate droplet departure from a surface is key towards achieving high heat transfer rates in condensation, a physical process critical to a broad range of industrial and societal applications. Despite progress in…
Carbon capture and storage (CCS) can aid decarbonization of the atmosphere to limit further global temperature increases. A framework utilizing unsupervised learning is used to generate a range of subsurface geologic volumes to investigate…
Difficulties associated with the integration of liquids into a UHV environment make surface-science style studies of mineral dissolution particularly challenging. Recently, we developed a novel experimental setup for the UHV-compatible…
One of the risks of large-scale geologic carbon sequestration is the potential migration of fluids out of the storage formations. Accurate and fast detection of this fluids migration is not only important but also challenging, due to the…
This work focuses on the simulation of $CO_2$ storage in deep underground formations under uncertainty and seeks to understand the impact of uncertainties in reservoir properties on $CO_2$ leakage. To simulate the process, a non-isothermal…
Confronting the escalating threat of climate change requires innovative and large-scale interventions. This paper presents a bold proposal to employ a buried nuclear explosion in a remote basaltic seabed for pulverizing basalt, thereby…
The accuracy and robustness of numerical models of geologic CO$_2$ sequestration are almost never quantified with respect to direct observations that provide a ground truth. Here, we conduct CO$_2$ injection experiments in meter-scale,…
We perform a set of flow and reactive transport simulations within three-dimensional fracture networks to learn the factors controlling mineral reactions. CO$_2$ mineralization requires CO$_2$-laden water, dissolution of a mineral that then…
Co-reduction of multicomponent oxides with hydrogen provides a carbon-neutral approach toward sustainable alloy design. Herein, we investigate the hydrogen-based direct reduction, using in-situ high-energy X-ray diffraction of two precursor…
Cobalt-porphyrin catalyzed reductive decomposition of CO2 to CO is investigated based on Koper's water facilitated CO2 reduction mechanism using a simple but accurate protocol based on thermodynamics. In our protocol, accurate predictions…
Building a carbon-neutral world needs to remove the excess CO$_2$ that has already been dumped into the atmosphere. The sea, soil, vegetation, and rocks on Earth all naturally uptake CO$_2$ from the atmosphere. Human beings can accelerate…
Geological Carbon Sequestration (GCS) has emerged as a promising strategy for mitigating global warming, yet its effectiveness heavily depends on accurately characterizing subsurface flow dynamics. The inherent geological uncertainty,…
Hydrogen embrittlement remains a critical challenge in structural and electronic applications of copper (Cu) but its mechanism is still not fully understood. In this study, we combine density functional theory (DFT) and bond-order potential…