The functionalization of UiO-67 with -NH2 groups enhances CO2 and CH4 adsorption at 1 bar and 298 K and positively influences the framework's interaction with water as evidenced by the significant enhancement of water vapour adsorption at 0.1 < P/P0 < 0.3 and 298 K.

Carbon dioxide gas separation is important for many environmental and energy applications. Molecular dynamics simulations are used to characterize a two-dimensional hydrocarbon polymer, PG-ES1, that uses a combination of surface adsorption and narrow pores to separate carbon dioxide from nitrogen, oxygen, and methane gases. The CO2 permeance is 3 × 10(5) gas permeation units (GPU). The CO2/N2 s...

Copper cathodes, at sufficiently negative potentials, are selective for hydrocarbon production during the electrochemical reduction of carbon dioxide. Other metals, such as Pt, Fe, Ni and Co, produce low to zero hydrocarbons. We employ density functional theory to examine the coverage of reaction intermediates under CO2 electroreduction conditions. A detailed thermodynamic analysis suggests tha...

The possible intrusion of CO2 into a given freshwater aquifer due to leakage from deep geological storage involves a decrease in pH, which has been directly associated with the remobilization of hazardous trace elements via mineral dissolution and/or via desorption processes. In an effort to evaluate the potential risks to potable water quality, the present study is devoted to experimental inve...

The adsorption and separation behavior of SO2-CO2, SO2-N2 and CO2-N2 binary mixtures in bundles of aligned double-walled carbon nanotubes is investigated using the grand-canonical Monte Carlo (GCMC) method and ideal adsorbed solution theory. Simulations were performed at 303 K with nanotubes of 3 nm inner diameter and various intertube distances. The results showed that the packing with an inte...

Uncontrolled massive release of the primary greenhouse gas carbon dioxide (CO2) into atmosphere from anthropogenic activities poses a big threat and adversely affects our global climate and natural environment. One promising approach to mitigate CO2 emission is carbon capture and storage (CCS), in which ideal adsorbent materials with high storage capacity and excellent adsorption selectivity ov...

Studies have shown that, coal seam, an un-conventional reservoir, is considered as a promising option for CO2 sequestration because of its large CO2 sequestration capacity, long time CO2 trapping and extra enhanced coal-bed methane (ECBM) production benefits. However, unlike conventional reservoirs, gas flow in the coal seam can cause the cleat permeability and porosity change during the inject...

Exchange of the guest Mn2+ ions in Mn3[(Mn4Cl)3(BTT)8(CH3OH)10]2 (1-Mn2+; BTT=1,3,5-benzenetristetrazolate) with selected cations results in the formation of isostructural framework compounds 1-M (M=Li+, Cu+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+). Similar to the parent compound, the new microporous materials are stable to desolvation and exhibit a high H2 storage capacity, ranging from 2.00 to 2.29 wt ...

High-resolution nitrogen (77 K) and carbon dioxide (273 K) adsorption at subatmospheric pressures has been studied for a range of model soils of various origins with different organic matter (OM) contents. It is demonstrated that N2 and CO2 molecules probe different regions of soil particles. Nitrogen is adsorbed primarily on the outer surface of soil particles, while CO2 has a higher affinity ...

We show here electrical responses of the structurally controlled defective single wall carbon nanohorns (SWCNHs) by oxidation or compression treatment on CO2 and O2 adsorption. The morphological and porosity changes of defective SWCNHs were measured by high resolution-transmission electron microscopy (HR-TEM), N2 adsorption at 77 K and Raman spectroscopy. The SWCNH and ox-SWCNH induced a semico...