Browsing Research Units by Subject "Gas adsorption"
Now showing items 1-12 of 12
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A theoretical study of gas adsorption on calcite for CO2 enhanced natural gas recovery
( Elsevier B.V. , 2020 , Article)The adsorption of gas molecules (CO2, CH4, H2O, H2S and N2) on calcite (104) has been studied by means of Density Functional Theory for molecular characterization of Enhanced Gas Recovery (EGR) CO2 injection. Results show ... -
A theoretical study of gas adsorption on α-quartz (0 0 1) for CO2 enhanced natural gas recovery
( Elsevier B.V. , 2020 , Article)The adsorption of gas molecules (CO2, CH4, H2O, H2S and N2) on the “dense” (0 0 1) surface of α-quartz has been investigated by means of Density Functional Theory (DFT) for the molecular characterization of Enhanced Gas ... -
Ab-Initio Molecular Dynamics investigation of gas adsorption on α-quartz (001) for CO2 enhanced natural gas recovery
( Elsevier B.V. , 2021 , Article)In this work, the interaction of methane and carbon dioxide on α-quartz with surface 001, with a siloxane termination (dense) surface was investigated by means of Ab-Initio Molecular Dynamics. Different temperatures were ... -
Carbon dioxide adsorption based on porous materials
( Royal Society of Chemistry , 2021 , Article Review)Global warming due to the high concentration of anthropogenic CO2in the atmosphere is considered one of the world's leading challenges in the 21stcentury as it leads to severe consequences such as climate change, extreme ... -
Clay-Polymer Nanocomposites
( Elsevier , 2017 , Book)Clay-Polymer Nanocomposites is a complete summary of the existing knowledge on this topic, from the basic concepts of synthesis and design to their applications in timely topics such as high-performance composites, ... -
Effect of strain on gas adsorption in tight gas carbonates: A DFT study
( Elsevier B.V. , 2021 , Article)The geometrical properties of the reservoir rocks are usually affected by natural thermodynamics or environmental changes. These factors may modify the distribution and the amount of gas in place in the reservoir. To address ... -
Improved electrical conductivity of carbon/polyvinyl alcohol electrospun nanofibers
( Hindawi , 2015 , Article)Carbon nanofibers (CNFs) gained much interest in the last few years due to their promising electrical, chemical, and mechanical characteristics. This paper investigates a new nanocomposite composed of carbon nanofibers ... -
Influence of natural gas composition on adsorption in calcite Nanopores: A DFT study
( Elsevier B.V. , 2021 , Article)Density functional theory is used to study the adsorption of natural gas components in calcite (10.4) cylindrical nanopores with 1–4 nm diameters. The change of adsorption energy with the diameter of the nanopores is studied ... -
Large CO2 uptake on a monolayer of CaO
( Royal Society of Chemistry , 2017 , Article)Density functional theory calculations are used to study gas adsorption properties of a recently synthesized CaO monolayer, which is found to be thermodynamically stable in its buckled form. Due to its topology and strong ... -
Qatari tight Gas Reservoirs: Molecular Simulation insights toward Estimation of Ultimate Recovery (EUR) from Carbonated Reservoirs
( Qatar University Press , 2021 , Poster)The geometrical properties of the reservoir rocks are usually affected by natural thermodynamics or environmental changes that may affect the amount of gas in place in the reservoir. To address these properties, we conduct ... -
Some theoretical aspects of tertiary treatment of water/oil emulsions by adsorption and coalescence mechanisms: A review
( MDPI AG , 2021 , Article Review)The massive increase in the volumes of oily contaminated produced waters associated with various industrial sectors has initiated considerable technological and scientific efforts related to the development of new cleaning ... -
The effect of vacancy defects on the adsorption of methane on calcite 104 surface
( Elsevier Editora Ltda , 2021 , Article)Density functional theory calculations are used to study the effect of vacancy defects (ionic Ca and charge neutral CO3) on the adsorption properties of CH4 molecule on different calcite surfaces. Both types of vacancy ...