Influence of natural gas composition on adsorption in calcite Nanopores: A DFT study

Influence of natural gas composition on adsorption in calcite Nanopores: A DFT study

<p dir="ltr">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 for CH<sub>4</sub> and CO<sub&g...

Full description

Saved in:

Bibliographic Details
Main Author:	Elkhansa Elbashier (14152815) (author)
Other Authors:	Ibnelwaleed Hussein (17058087) (author), Giuliano Carchini (1722994) (author), Ahmed Kasha (17269039) (author), Golibjon Berdiyorov (6325997) (author)
Published:	2021
Subjects:	Engineering Environmental engineering Nanotechnology Resources engineering and extractive metallurgy Calcite Nanopores Tight gas reservoir Gas adsorption Density functional theory (DFT) Carbonate Rock Reserve estimation
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Effect of strain on gas adsorption in tight gas carbonates: A DFT study
by: Elkhansa Elbashier (14152815)
Published: (2021)

The effect of vacancy defects on the adsorption of methane on calcite 104 surface
by: G.R. Berdiyorov (7170563)
Published: (2021)

A STUDY OF THE ADSORPTION/DESORPTION OF METHANE/CARBON DIOXIDE ON THE SURFACE OF DIFFERENT RESERVOIR ROCKS
by: unknown
Published: (2020)

Highly selective adsorption of gases on functionalized spin-polarized dichalcogenide alloy
by: Ahmad I. Ayesh (10188469)
Published: (2025)

CO<sub>2</sub> enhanced gas recovery and sequestration in depleted gas reservoirs: A review
by: Ahmed Hamza (7224470)
Published: (2021)

DFT investigation of H2S adsorption on graphenenanosheets and nanoribbons: Comparative study
by: Ehab, Salih
Published: (2020)

Lexicographic Approach to Well Placement Optimization for Short, Medium And Long Term Investment Decisions
by: unknown
Published: (2020)

First principle investigation of H2Se, H2Te and PH3 sensing based on graphene oxide
by: Ehab, Salih
Published: (2020)

CO, CO2, and SO2 detection based on functionalized graphene nanoribbons: First principles study
by: Ehab, Salih
Published: (2020)

The effect of ZrOx modification of graphene nanoribbon on its adsorption for NOx: A DFT investigation
by: Ahmad I. Ayesh (10188469)
Published: (2022)

DFT investigation of H<sub>2</sub>S adsorption on graphenenanosheets and nanoribbons: Comparative study
by: Ehab Salih (17075206)
Published: (2020)

Adsorption and diffusion behavior of pure H<sub>2</sub>, and H<sub>2</sub>/CO<sub>2</sub>, H<sub>2</sub>/CH<sub>4</sub> mixtures in sandstone-rich clay shale reservoirs: Insights from molecular dynamics simulations
by: Alankaa Al-Harbi (22137029)
Published: (2025)

First principle study of transition metals codoped MoS<sub>2</sub> as a gas sensor for the detection of NO and NO<sub>2</sub> gases
by: Ehab Salih (17075206)
Published: (2021)

First principle investigation of H<sub>2</sub>Se, H<sub>2</sub>Te and PH<sub>3</sub> sensing based on graphene oxide
by: Ehab Salih (17075206)
Published: (2020)

PETROPHYSICAL AND MECHANICAL PROPERTIES CHANGES DURING CO₂ STORAGE IN SALINE AQUIFERS: EFFECTS OF LITHOLOGY AND INJECTION STRATEGIES
by: unknown
Published: (2020)

Qatar’s Wind Energy Potential with Associated Financial and Environmental Benefits for the Natural Gas Industry
by: Carlos Méndez (88102)
Published: (2019)

Hydroxy- and methoxy-aromatics as corrosion inhibitors for automotive steel in 1.0 M HCl: Experimental and theoretical study
by: Kacem Jaioua (22927222)
Published: (2025)

CO<sub>2</sub> adsorption on Fe-doped graphene nanoribbons: First principles electronic transport calculations
by: G. R. Berdiyorov (4435975)
Published: (2016)

H<sub>2</sub>S and SO<sub>2</sub> adsorption on Cu doped MoSe<sub>2</sub>: DFT investigation
by: Ahmad I. Ayesh (10188469)
Published: (2022)

SAND CONSOLIDATION USING ENZYME-INDUCED CARBONATE PRECIPITATION
by: unknown
Published: (2020)

A review on underground gas storage systems: Natural gas, hydrogen and carbon sequestration
by: Manal Al-Shafi (17012214)
Published: (2023)

Pt-doped armchair graphene nanoribbon as a promising gas sensor for CO and CO2: DFT study
by: Ehab, Salih
Published: (2020)

Saturation-Height Modelling of Oil and Gas-Capped Reservoirs
by: Al Roudhan, Abdulkareem Roudhan
Published: (2010)

Quantification of Rock Wettability Using Dielectric Measurements
by: unknown
Published: (2020)

CHARACTERIZATION OF NMR DIFFUSION COUPLING PHENOMENA IN CARBONATE FORMATIONS UNDER THE PRESENCE OF MULTIPLE RESERVOIR FLUIDS
by: unknown
Published: (2020)

Novel methodology to couple decline curve analysis with CFD reservoir simulations for complex shale gas reservoirs
by: Syed Oubee Khadri (21842867)
Published: (2024)

DEVELOPMENT OF EMULSIFIED GELS FOR WATER CONTROL IN OIL AND GAS WELLS
by: unknown
Published: (2020)

DATA MINING APPLICATIONS OF NMR DATA FOR PETROPHYSICAL DATA PREDICTION
by: unknown
Published: (2020)

Effect of CuOx additive site to graphene nanoribbon on its adsorption for hydrogen sulfide
by: Ahmad I. Ayesh (10188469)
Published: (2021)

Computational demystification of iron carbonyls formation under syngas environment
by: El Tayeb Bentria (9904024)
Published: (2024)

Pt-doped armchair graphene nanoribbon as a promising gas sensor for CO and CO<sub>2</sub>: DFT study
by: Ehab Salih (17075206)
Published: (2021)

CHARACTERIZATION OF BRITTLENESS AND FRACKABILITY FOR UNCONVENTIONAL SHALE
by: unknown
Published: (2020)

SYSTEMATIC INVESTIGATION OF ROCK/FLUID INTERACTIONS IN RESERVOIRS AT NANO –TO – MILLIMETER SCALE: IMPLICATIONS FOR ENHANCED OIL RECOVERY AND CO2 STORAGE
by: unknown
Published: (2020)

Quantum Chemistry Insight into the Interactions Between Deep Eutectic Solvents and SO<sub>2</sub>
by: Mert Atilhan (1272906)
Published: (2019)

CO, CO<sub>2</sub>, and SO<sub>2</sub> detection based on functionalized graphene nanoribbons: First principles study
by: Ehab Salih (17075206)
Published: (2020)

Exploring carbon dioxide sequestration in desalination reject brine via NaOH reaction: A kinetics study
by: Nafis Mahmud (14150004)
Published: (2024)

Oxidation of Au/Ag films by oxygen plasma: phase separation and generation of nanoporosity
by: Abdel-Aziz El Mel (18952798)
Published: (2020)

Comparative effects of CO<sub>2</sub> exposure on limestone and sandstone relevant to carbon sequestration in subsurface reservoirs
by: Osama Massarweh (17012217)
Published: (2025)

Enhancing the Sensing Performance of Zigzag Graphene Nanoribbon to Detect NO, NO<sub>2</sub>, and NH<sub>3</sub> Gases
by: Ehab Salih (17075206)
Published: (2020)

Reactions, Adsorption and Diffusion in FCC Catalysts
by: Mahaly, Wafa
Published: (2013)

Cannot write session to /tmp/vufind_sessions/sess_pino0c2bphrteq6oiletk49pc4