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Adsorbed natural gas (ANG) technology is a viable alternative to conventional liquefied or compressed natural-gas storage. Many different porous materials have been considered for adsorptive, reversible methane storage, but fall short of the US Department… Published in Nature Energy: High-capacity methane storage in flexible alkane-linked porous aromatic network polymers

In this manuscript, we report synthesis, characterization and application of amine and amide type covalent organic frameworks as CO2 adsorbent materials at various isotherms and wide pressure conditions. Furthermore, we also report a detailed density functional theory investigation of the… An Experimental & Theoretical Study on Gas Adsorption on Amine and Amide Porous Polymers

In this paper, we report high pressure experimental measurements and detailed density functional theory (DFT) as well as molecular dynamic (MD) simulations of methane (CH4) solubility in natural deep eutectic solvents (NADESs) that were prepared… High Pressure Methane Solubility in Natural Deep Eutectic Solvents

Molecular dynamics simulations are used to study the transport of CO 2, H 2 S and CH 4 molecules across environmentally friendly choline-benzoate and choline-lactate ionic liquids (ILs). The permeability coefficients of the considered molecules… Permeabilities of CO2, H2S and CH4 through Choline-Based Ionic Liquids: Atomistic-Scale Simulations

Natural deep eutectic solvent that is formed by choline chloride and lactic acid is studied as a function of various molar mixing ratios at different temperatures. The focus of the investigation is dynamic properties (viscosity,… Physicochemical properties on Choline Chloride + Lactic Acid based NADES

The nanoscopic level properties of a mixed deep eutectic solvent composed by choline chloride as hydrogen bond acceptor and urea plus ethylenglycol plus glycerol as hydrogen bond donor are studied using classical molecular dynamics simulations.… Mixed Deep Eutectic Solvents and Their Interaction with Nanomaterials

The properties of boron nitride-based nanomaterials that are studied on the purpose of acid gas capture were studied by a theoretically approach via both quantum chemistry and classical molecular dynamics methods. Three gases, CO2, H2S… Adsorption of acid gases by boron nitride-based nanomaterials

Dear Colleagues, Deep eutectic solvents (DES), being cost-effective solvents, have attracted increasing attention in both academia and industry in recent years. Bringing together mixtures of hydrogen-bond donor(s) and hydrogen-bond acceptor(s), DESs are formed and such… Special Issue on Deep Eutectic Solvents

In this work (just accepted in Microporous Mesoporous Materials, we report synthesis, characterization and application of amine and amide type covalent organic frameworks as CO2 adsorbent materials at various isotherms and wide pressure conditions. Furthermore,… A Combined Experimental and Theoretical Study on Gas Adsorption of Porous Polymers