相关论文: Selective gas capture via kinetic trapping

Conservation laws are time-invariant properties that constrain many physical systems. For systems of chemical reactions, the law of mass conservation constrains how atoms flow between chemical species. Chemical reaction networks can display…

Carbon matching aims to improve corporate carbon accounting by tracking emissions rather than energy consumption and production. We present a mathematical derivation of carbon matching using marginal emission rates, where the unit of…

Complex systems are commonly modeled using nonlinear dynamical systems. These models are often high-dimensional and chaotic. An important goal in studying physical systems through the lens of mathematical models is to determine when the…

Amorphous multi-element materials offer unprecedented tunability in composition and properties, yet their rational design remains challenging due to the lack of predictive structure-property relationships and the vast configurational space.…

Transition metal dichalcogenides exhibit a wide range of semiconducting, metallic, correlated, and topological electronic states that arise from strong coupling between lattice structure, dimensionality, and electronic degrees of freedom.…

In this study, over different scenarios we will simulate a week coupling of hydromechanical loads in a long term CO2 injection with a hypothetical reservoir while the effect of pore water pressure and then multi-phase flow procedure has…

Low-carbon liquid fuels play a key role in energy system decarbonization scenarios. This study uses a multi-sector capacity expansion model of the contiguous United States to examine fuels production in deeply decarbonized energy systems.…

We propose a theoretical approach for predicting thermodynamics and kinetics of guest molecules in nanoporous materials. This statistical mechanical-based method requires a minimal set of physical parameters that may originate from…

Metal-organic frameworks (MOFs) symbolize the particular class of hybrid crystalline, nano-porous materials made of either discrete metal ions or clusters with organic linkers. Past studies on MOFs-based materials largely focused on…

The thermodynamic approach to non-equilibrium dynamics describes the state of macroscopic systems by means of a collection of intensities or intensive variables. The latter are by definition the differentials of the entropy with respect to…

This paper presents a mixed finite element framework for coupled hydro-mechanical-chemical processes in heterogeneous porous media. The framework combines two types of locally conservative discretization schemes: (1) an enriched Galerkin…

This paper describes the use of a high-stability quartz-crystal microbalance (QCM) to measure the mass of a gas absorbed on and in the metal electrode on the quartz oscillator, when the gas pressure is low and the gas can be considered as…

Although coarse-grained models have been widely used to explain exotic phenomena in complex fluids, such as droplet formation in living cells, these conventional approaches often fail to capture the intricate microscopic degrees of freedom…

This work presents an in-depth investigation of the properties of complexes composed of hydrogen, silicon or oxygen with carbon, which are major unintentional impurities in undoped GaN. This manuscript is a complement to our previous work…

We demonstrate from molecular dynamics simulations that windowed carbon nanotubes can efficiently separate CO2 from the CO2/CH4 mixture, resembling polymeric hollow fibers for gas separation. Three CO2/CH4 mixtures with 30%, 50% and 80% CO2…

The extraction of natural gas from the earth has been shown to be governed by differential equations concerning flow through a porous material. Recently, models such as fractional differential equations have been developed to model this…

Theoretical calculations, applying elements of the orbital-based density functional method for self-consistent screening in an electron gas to the stopping power of metals for slow projectiles are reviewed, by focusing on differences in…

Advances in light shaping for optical trapping of neutral particles have led to the development of box traps for ultracold atoms and molecules. These traps have allowed the creation of homogeneous quantum gases and opened new possibilities…

Computational screening methods have been accelerating discovery of new materials and deployment of technologies based on them in many areas from batteries and alloys to photovoltaics and separation processes. In this review, we focus on…

The motion of flexible fibers through structured fluidic environments is ubiquitous in nature and industrial applications. Most often, their dynamics results from the complex interplay between internal elastic stresses, contact forces and…